2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide

C17H23N3O — CID 107804498

IUPAC2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide
SMILESCc1cccc(NC(C)C(=O)NC2CCCCC2)c1C#N
InChIInChI=1S/C17H23N3O/c1-12-7-6-10-16(15(12)11-18)19-13(2)17(21)20-14-8-4-3-5-9-14/h6-7,10,13-14,19H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyLEPONHHEKRSKFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide

2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide (PubChem CID 107804498) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide
PubChem CID107804498
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide
SMILESCc1cccc(NC(C)C(=O)NC2CCCCC2)c1C#N
InChIInChI=1S/C17H23N3O/c1-12-7-6-10-16(15(12)11-18)19-13(2)17(21)20-14-8-4-3-5-9-14/h6-7,10,13-14,19H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyLEPONHHEKRSKFL-UHFFFAOYSA-N
XLogP3.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874
N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
CID 107804289
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
CID 107803271
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
(2R)-2-[(2-cyano-3-methylphenyl)carbamoylamino]propanoic acid
CID 107799913
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
(2S)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795882
(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795883

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide?
The IUPAC name of 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide (CID 107804498) is 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide is Cc1cccc(NC(C)C(=O)NC2CCCCC2)c1C#N.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide?
The InChIKey is LEPONHHEKRSKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-7-6-10-16(15(12)11-18)19-13(2)17(21)20-14-8-4-3-5-9-14/h6-7,10,13-14,19H,3-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide?
2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-methylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 107804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).