3-(N-acetylanilino)-N-cyclohexylpropanamide

C17H24N2O2 — CID 113123341

IUPAC3-(N-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-14(20)19(16-10-6-3-7-11-16)13-12-17(21)18-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-13H2,1H3,(H,18,21)
InChIKeyKGGQHVFJFQWART-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds5

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

3-(N-acetylanilino)-N-cyclohexylpropanamide (PubChem CID 113123341) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-cyclohexylpropanamide
PubChem CID113123341
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(N-acetylanilino)-N-cyclohexylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-14(20)19(16-10-6-3-7-11-16)13-12-17(21)18-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-13H2,1H3,(H,18,21)
InChIKeyKGGQHVFJFQWART-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-cyclohexylpropanamide?
The IUPAC name of 3-(N-acetylanilino)-N-cyclohexylpropanamide (CID 113123341) is 3-(N-acetylanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-cyclohexylpropanamide is CC(=O)N(CCC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-(N-acetylanilino)-N-cyclohexylpropanamide?
The InChIKey is KGGQHVFJFQWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(20)19(16-10-6-3-7-11-16)13-12-17(21)18-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-13H2,1H3,(H,18,21).
What are the key properties of 3-(N-acetylanilino)-N-cyclohexylpropanamide?
3-(N-acetylanilino)-N-cyclohexylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-cyclohexylpropanamide is sourced from PubChem (CID 113123341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).