N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide

C18H24N2O — CID 62366218

IUPACN-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C18H24N2O/c1-14-9-11-18(13-19,12-10-14)20-17(21)8-7-16-6-4-3-5-15(16)2/h3-6,14H,7-12H2,1-2H3,(H,20,21)
InChIKeyTYPBYPFCZZJGNI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.52
Rot. Bonds4

About N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide

N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide (PubChem CID 62366218) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
PubChem CID62366218
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C18H24N2O/c1-14-9-11-18(13-19,12-10-14)20-17(21)8-7-16-6-4-3-5-15(16)2/h3-6,14H,7-12H2,1-2H3,(H,20,21)
InChIKeyTYPBYPFCZZJGNI-UHFFFAOYSA-N
XLogP3.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
1-benzyl-3-(1-cyano-4-methylcyclohexyl)urea
CID 107653431
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide
CID 61119929
N-[4-(bromomethyl)oxan-4-yl]-3-(2-methylphenyl)propanamide
CID 106300831
(3S)-3-[3-(2-methylphenyl)propanoylamino]thiolane-3-carboxylic acid
CID 129367837
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
CID 55260135

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide (CID 62366218) is N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide?
The InChIKey is TYPBYPFCZZJGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-11-18(13-19,12-10-14)20-17(21)8-7-16-6-4-3-5-15(16)2/h3-6,14H,7-12H2,1-2H3,(H,20,21).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide?
N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide has a molecular weight of 284.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62366218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).