3-(3-acetylanilino)-N-cyclohexylpropanamide

C17H24N2O2 — CID 109014054

IUPAC3-(3-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)c1cccc(NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-6-5-9-16(12-14)18-11-10-17(21)19-15-7-3-2-4-8-15/h5-6,9,12,15,18H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyBWIXKFCEKHVXRN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.14
Rot. Bonds6

About 3-(3-acetylanilino)-N-cyclohexylpropanamide

3-(3-acetylanilino)-N-cyclohexylpropanamide (PubChem CID 109014054) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-cyclohexylpropanamide
PubChem CID109014054
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)c1cccc(NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-6-5-9-16(12-14)18-11-10-17(21)19-15-7-3-2-4-8-15/h5-6,9,12,15,18H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyBWIXKFCEKHVXRN-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-acetylanilino)-N-cyclohexylpropanamide 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

3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(3-acetylanilino)-N-cyclohexylpropanamide (CID 109014054) is 3-(3-acetylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-cyclohexylpropanamide is CC(=O)c1cccc(NCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(3-acetylanilino)-N-cyclohexylpropanamide?
The InChIKey is BWIXKFCEKHVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)14-6-5-9-16(12-14)18-11-10-17(21)19-15-7-3-2-4-8-15/h5-6,9,12,15,18H,2-4,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(3-acetylanilino)-N-cyclohexylpropanamide?
3-(3-acetylanilino)-N-cyclohexylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 109014054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).