SDF/Mol File of N-Methylbutanamide (C5H11NO)
Identification of N-Methylbutanamide Chemical Compound
| Chemical Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.14694 g/mol |
| IUPAC Name | N-methylbutanamide |
| SMILES String | CCCC(=O)NC |
| InChI | InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7) |
| InChIKey | OLLZXQIFCRIRMH-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-Methylbutanamide 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 N-Methylbutanamide 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.
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Search Another SDF·MOL File
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-Methylbutanamide Molecule
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Chemical structure of N-Methylbutanamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-Methylbutanamide is available in chemical structure page of N-Methylbutanamide, 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 N-Methylbutanamide
The molecular weight of N-Methylbutanamide is available in molecular weight page of N-Methylbutanamide, 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 N-Methylbutanamide
The chemical formula of N-Methylbutanamide is given in chemical formula page of N-Methylbutanamide, 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 N-Methylbutanamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-Methylbutanamide is:
InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
It can provide a standard way to encode the molecular information of N-Methylbutanamide 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 N-Methylbutanamide is:
InChIKey=OLLZXQIFCRIRMH-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-Methylbutanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-Methylbutanamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-Methylbutanamide
The N-Methylbutanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-Methylbutanamide including the registry numbers are listed below, if available:
- N-methylbutyrylamide
- N-Methylbuttersaureamid
- 17794-44-4
- N-Methylbuttersaureamid [German]
- Butanamide, N-methyl- (9CI)
- Methyl butyric acid amide
- BUTYRAMIDE, N-METHYL-
- Butanamide, N-methyl-
- N-Methylbutyramide
N-Methylbutanamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the N-Methylbutanamide formula? |
|---|
| C5H11NO |
| How many atoms and what elements are included in the N-Methylbutanamide molecule? |
| 18 atom(s) - 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the N-Methylbutanamide structure? |
| 17 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 secondary amide(s) (aliphatic) |
| What’s the N-Methylbutanamide’s molar mass? |
| 101.14694 g/mol |
| What’s the SMILES structure of N-Methylbutanamide? |
| CCCC(=O)NC |
| What’s the InChI code of N-Methylbutanamide? |
| InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7) |
| What’s the InChIKey format of N-Methylbutanamide? |
| OLLZXQIFCRIRMH-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).