2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide

C16H20N2O — CID 62877360

IUPAC2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
SMILESCC1CCCC(NC(=O)C(C#N)c2ccccc2)C1
InChIInChI=1S/C16H20N2O/c1-12-6-5-9-14(10-12)18-16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyBOLKHAMOKSJBOL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds3

About 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide

2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide (PubChem CID 62877360) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
PubChem CID62877360
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
SMILESCC1CCCC(NC(=O)C(C#N)c2ccccc2)C1
InChIInChI=1S/C16H20N2O/c1-12-6-5-9-14(10-12)18-16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyBOLKHAMOKSJBOL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
CID 79878391
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
3-(2-methylcyclopentyl)-3-oxo-2-phenylpropanenitrile
CID 107179005
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
(3-methylcyclohexyl)carbamic acid
CID 67410451

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide (CID 62877360) is 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide is CC1CCCC(NC(=O)C(C#N)c2ccccc2)C1.
What is the InChIKey of 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide?
The InChIKey is BOLKHAMOKSJBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-5-9-14(10-12)18-16(19)15(11-17)13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide?
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide is sourced from PubChem (CID 62877360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).