3-(4-acetylanilino)-N-cyclohexylpropanamide

C17H24N2O2 — CID 109014055

IUPAC3-(4-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)c1ccc(NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-7-9-15(10-8-14)18-12-11-17(21)19-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyDPTQZHINJFGUSW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.14
Rot. Bonds6

About 3-(4-acetylanilino)-N-cyclohexylpropanamide

3-(4-acetylanilino)-N-cyclohexylpropanamide (PubChem CID 109014055) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N-cyclohexylpropanamide
PubChem CID109014055
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(4-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)c1ccc(NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(20)14-7-9-15(10-8-14)18-12-11-17(21)19-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyDPTQZHINJFGUSW-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

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Related Compounds

methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cycloheptyl-3-(4-phenoxyanilino)propanamide
CID 109031516
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclopentyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013548
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(4-acetylanilino)-N-cyclohexylpropanamide (CID 109014055) is 3-(4-acetylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(4-acetylanilino)-N-cyclohexylpropanamide is CC(=O)c1ccc(NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N-cyclohexylpropanamide?
The InChIKey is DPTQZHINJFGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)14-7-9-15(10-8-14)18-12-11-17(21)19-16-5-3-2-4-6-16/h7-10,16,18H,2-6,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-acetylanilino)-N-cyclohexylpropanamide?
3-(4-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-(4-acetylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 109014055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).