2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide

C17H22N2O — CID 62404558

IUPAC2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h6-9,13,16H,2-5,10,12H2,1H3,(H,19,20)
InChIKeyHEUGRHKXMCECJG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide

2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide (PubChem CID 62404558) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
PubChem CID62404558
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)Cc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H22N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h6-9,13,16H,2-5,10,12H2,1H3,(H,19,20)
InChIKeyHEUGRHKXMCECJG-UHFFFAOYSA-N
XLogP3.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
2-(5-cyano-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 103760377
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]benzonitrile
CID 55209268
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide (CID 62404558) is 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide is CC1CCC(CNC(=O)Cc2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide?
The InChIKey is HEUGRHKXMCECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h6-9,13,16H,2-5,10,12H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 62404558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).