SDF/Mol File of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide (C15H22N2O3)
Identification of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide Chemical Compound
![2D chemical structure image of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide](http://static.molinstincts.com/compound_common/2-diethylamino-N-2R-2-3-dihydro-1-4-benzodioxin-2-ylmethyl-acetamide-2D-structure-CT1000000982.png)
| Chemical Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.34678 g/mol |
| IUPAC Name | 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide |
| SMILES String | CCN(CC)CC(=O)NCC2COc1ccccc1O2 |
| InChI | InChI=1S/C15H22N2O3/c1-3-17(4-2)10-15(18)16-9-12-11-19-13-7-5-6-8-14(13)20-12/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/t12-/m1/s1 |
| InChIKey | CKMLSRJPOUPKQF-GFCCVEGCSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide](http://static.molinstincts.com/compound_3d/2-diethylamino-N-2R-2-3-dihydro-1-4-benzodioxin-2-ylmethyl-acetamide-3D-structure-CT1000000982.png)
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Additional Information for Identifying 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide Molecule
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Chemical structure of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is available in chemical structure page of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide
The molecular weight of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is available in molecular weight page of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide
The chemical formula of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is given in chemical formula page of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is:
InChI=1S/C15H22N2O3/c1-3-17(4-2)10-15(18)16-9-12-11-19-13-7-5-6-8-14(13)20-12/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/t12-/m1/s1
It can provide a standard way to encode the molecular information of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide is:
InChIKey=CKMLSRJPOUPKQF-GFCCVEGCSA-N
The InChIKey may allow easier web searches for 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide, but it needs to be linked to the full InChI to get back to the original structure of the 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide
The 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide including the registry numbers are listed below, if available:
None available.
2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide formula? |
|---|
| C15H22N2O3 |
| How many atoms and what elements are included in the 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide molecule? |
| 42 atom(s) - 22 Hydrogen atom(s), 15 Carbon atom(s), 2 Nitrogen atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide structure? |
| 43 bond(s) - 21 non-H bond(s), 7 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 2 ether(s) (aromatic) |
| What’s the 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide’s molar mass? |
| 278.34678 g/mol |
| What’s the SMILES structure of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide? |
| CCN(CC)CC(=O)NCC2COc1ccccc1O2 |
| What’s the InChI code of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide? |
| InChI=1S/C15H22N2O3/c1-3-17(4-2)10-15(18)16-9-12-11-19-13-7-5-6-8-14(13)20-12/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18)/t12-/m1/s1 |
| What’s the InChIKey format of 2-(diethylamino)-N-[(2R)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]acetamide? |
| CKMLSRJPOUPKQF-GFCCVEGCSA-N |
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