3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide

C16H21NO2 — CID 71906177

IUPAC3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC(C)c2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO2/c1-11-10-14(8-9-15(11)18)16(19)17-12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19)
InChIKeyJDUNNTKOIGQESC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds3

About 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide

3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 71906177) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide
PubChem CID71906177
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NC(C)c2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO2/c1-11-10-14(8-9-15(11)18)16(19)17-12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19)
InChIKeyJDUNNTKOIGQESC-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide 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

1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide (CID 71906177) is 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide is CC1CC(C(=O)NC(C)c2ccccc2)CCC1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is JDUNNTKOIGQESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-10-14(8-9-15(11)18)16(19)17-12(2)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide?
3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(1-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71906177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).