3-(4-acetylanilino)-N,N-dimethylpropanamide

C13H18N2O2 — CID 114468155

IUPAC3-(4-acetylanilino)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccc(NCCC(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-4-6-12(7-5-11)14-9-8-13(17)15(2)3/h4-7,14H,8-9H2,1-3H3
InChIKeyOAFYLAYTAVTYJU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds5

About 3-(4-acetylanilino)-N,N-dimethylpropanamide

3-(4-acetylanilino)-N,N-dimethylpropanamide (PubChem CID 114468155) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-acetylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-acetylanilino)-N,N-dimethylpropanamide
PubChem CID114468155
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(4-acetylanilino)-N,N-dimethylpropanamide
SMILESCC(=O)c1ccc(NCCC(=O)N(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-10(16)11-4-6-12(7-5-11)14-9-8-13(17)15(2)3/h4-7,14H,8-9H2,1-3H3
InChIKeyOAFYLAYTAVTYJU-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-anilino-N,N-dimethylpropanamide
CID 60961994
1-[4-(propylamino)phenyl]ethanone
CID 7304598
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
3-(4-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 109026665
2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
CID 60724134
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-acetylanilino)-N,N-dimethylpropanamide (CID 114468155) is 3-(4-acetylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-acetylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-acetylanilino)-N,N-dimethylpropanamide is CC(=O)c1ccc(NCCC(=O)N(C)C)cc1.
What is the InChIKey of 3-(4-acetylanilino)-N,N-dimethylpropanamide?
The InChIKey is OAFYLAYTAVTYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)11-4-6-12(7-5-11)14-9-8-13(17)15(2)3/h4-7,14H,8-9H2,1-3H3.
What are the key properties of 3-(4-acetylanilino)-N,N-dimethylpropanamide?
3-(4-acetylanilino)-N,N-dimethylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 114468155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).