N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide

C21H26N2O — CID 142122775

IUPACN-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide
SMILESCC(=O)N(Cc1ccc(C2CCCCC2C)cc1)c1ccccn1
InChIInChI=1S/C21H26N2O/c1-16-7-3-4-8-20(16)19-12-10-18(11-13-19)15-23(17(2)24)21-9-5-6-14-22-21/h5-6,9-14,16,20H,3-4,7-8,15H2,1-2H3
InChIKeyZUHKEKMCMINQMI-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.93
Rot. Bonds4

About N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide

N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide (PubChem CID 142122775) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide
PubChem CID142122775
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide
SMILESCC(=O)N(Cc1ccc(C2CCCCC2C)cc1)c1ccccn1
InChIInChI=1S/C21H26N2O/c1-16-7-3-4-8-20(16)19-12-10-18(11-13-19)15-23(17(2)24)21-9-5-6-14-22-21/h5-6,9-14,16,20H,3-4,7-8,15H2,1-2H3
InChIKeyZUHKEKMCMINQMI-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide?
The IUPAC name of N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide (CID 142122775) is N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide is CC(=O)N(Cc1ccc(C2CCCCC2C)cc1)c1ccccn1.
What is the InChIKey of N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide?
The InChIKey is ZUHKEKMCMINQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-7-3-4-8-20(16)19-12-10-18(11-13-19)15-23(17(2)24)21-9-5-6-14-22-21/h5-6,9-14,16,20H,3-4,7-8,15H2,1-2H3.
What are the key properties of N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide?
N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide has a molecular weight of 322.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 142122775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).