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SDF/Mol File of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one (C19H27NO2)

Identification of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one Chemical Compound

2D chemical structure image of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one
Chemical Formula C19H27NO2
Molecular Weight 301.42318 g/mol
IUPAC Name 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one
SMILES String CC1COCC(C)N1C(=O)CC(C2CC2)c3ccc(C)cc3
InChI InChI=1S/C19H27NO2/c1-13-4-6-16(7-5-13)18(17-8-9-17)10-19(21)20-14(2)11-22-12-15(20)3/h4-7,14-15,17-18H,8-12H2,1-3H3
InChIKey LRJFNKYSIFIGDN-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one 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 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one 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 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one
Ball-and-stick model of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one Molecule

  • Other names (synonyms) or registry numbers of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one

    The 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one including the registry numbers are listed below, if available:



    None available.


3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one formula?
C19H27NO2
How many atoms and what elements are included in the 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one molecule?
49 atom(s) - 27 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one structure?
51 bond(s) - 24 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 2 six-membered ring(s), 1 tertiary amide(s) (aliphatic), and 1 ether(s) (aliphatic)
What’s the 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one’s molar mass?
301.42318 g/mol
What’s the SMILES structure of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one?
CC1COCC(C)N1C(=O)CC(C2CC2)c3ccc(C)cc3
What’s the InChI code of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one?
InChI=1S/C19H27NO2/c1-13-4-6-16(7-5-13)18(17-8-9-17)10-19(21)20-14(2)11-22-12-15(20)3/h4-7,14-15,17-18H,8-12H2,1-3H3
What’s the InChIKey format of 3-cyclopropyl-1-(3,5-dimethylmorpholin-4-yl)-3-(4-methylphenyl)propan-1-one?
LRJFNKYSIFIGDN-UHFFFAOYSA-N

32 The contents of this page can freely be shared if cited as follows:
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).

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