N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide

C16H20N2O — CID 79005788

IUPACN-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C#N)c2ccccc2)CC1
InChIInChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyIYDLUUZDYNLTPR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds3

About N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide

N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 79005788) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
PubChem CID79005788
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C#N)c2ccccc2)CC1
InChIInChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19)
InChIKeyIYDLUUZDYNLTPR-UHFFFAOYSA-N
XLogP3.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[cyano-[4-(dimethylamino)phenyl]methyl]cyclopropanecarboxamide
CID 82117900
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
N-[cyano(phenyl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166333388

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide (CID 79005788) is N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C#N)c2ccccc2)CC1.
What is the InChIKey of N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is IYDLUUZDYNLTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-9-14(10-8-12)16(19)18-15(11-17)13-5-3-2-4-6-13/h2-6,12,14-15H,7-10H2,1H3,(H,18,19).
What are the key properties of N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide?
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79005788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).