N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide

C16H20N2O2 — CID 61123203

IUPACN-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
SMILESN#CC(NC(=O)COc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c17-11-15(13-7-3-1-4-8-13)18-16(19)12-20-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,12H2,(H,18,19)
InChIKeyJLJPHMCLVQYGEV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds5

About N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide

N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide (PubChem CID 61123203) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
PubChem CID61123203
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide
SMILESN#CC(NC(=O)COc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H20N2O2/c17-11-15(13-7-3-1-4-8-13)18-16(19)12-20-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,12H2,(H,18,19)
InChIKeyJLJPHMCLVQYGEV-UHFFFAOYSA-N
XLogP2.65
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-acetylphenoxy)-N-[(R)-cyano(cyclohexyl)methyl]acetamide
CID 95788640
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
2-(3-cyanophenoxy)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 75800081
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
N-[cyano(cyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539335
[(1S)-1-cyanoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842803
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide (CID 61123203) is N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide is N#CC(NC(=O)COc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide?
The InChIKey is JLJPHMCLVQYGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-15(13-7-3-1-4-8-13)18-16(19)12-20-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,12H2,(H,18,19).
What are the key properties of N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide?
N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 61123203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).