N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide

C18H25NO2 — CID 51165973

IUPACN-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
SMILESCC1CCCC(NC(=O)CCC(=O)c2ccccc2)C1C
InChIInChI=1S/C18H25NO2/c1-13-7-6-10-16(14(13)2)19-18(21)12-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyPHWBBQCNGLUZNV-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.59
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide

N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide (PubChem CID 51165973) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
PubChem CID51165973
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
SMILESCC1CCCC(NC(=O)CCC(=O)c2ccccc2)C1C
InChIInChI=1S/C18H25NO2/c1-13-7-6-10-16(14(13)2)19-18(21)12-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,21)
InChIKeyPHWBBQCNGLUZNV-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide 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

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51671096
4-(4-chlorophenyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxobutanamide
CID 7999635
4-(4-chlorophenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-oxobutanamide
CID 11920520
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea
CID 11946423
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896713
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896715
2-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 115923821
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-benzoylbenzoate
CID 11890165
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 11919685
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]thiourea
CID 11936488
N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 124732495

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide (CID 51165973) is N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide is CC1CCCC(NC(=O)CCC(=O)c2ccccc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide?
The InChIKey is PHWBBQCNGLUZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-6-10-16(14(13)2)19-18(21)12-11-17(20)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide?
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide has a molecular weight of 287.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 51165973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).