N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide

C15H18N2O — CID 70845921

IUPACN-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCC[C@H](C#N)C1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)15(18)17-13-7-4-6-12(9-13)10-16/h2-3,5,8,12-13H,4,6-7,9H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyXNQYOGLEGGLHNA-QWHCGFSZSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds2

About N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide

N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide (PubChem CID 70845921) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
PubChem CID70845921
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@@H]1CCC[C@H](C#N)C1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)15(18)17-13-7-4-6-12(9-13)10-16/h2-3,5,8,12-13H,4,6-7,9H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyXNQYOGLEGGLHNA-QWHCGFSZSA-N
XLogP2.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 95983826
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CID 979091
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(4-aminocyclohexyl)-2-methylbenzamide
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N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
CID 99777899
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
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CID 70955221

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide?
The IUPAC name of N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide (CID 70845921) is N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](C#N)C1.
What is the InChIKey of N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide?
The InChIKey is XNQYOGLEGGLHNA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-2-3-8-14(11)15(18)17-13-7-4-6-12(9-13)10-16/h2-3,5,8,12-13H,4,6-7,9H2,1H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide?
N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 70845921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).