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

C13H19N3O2 — CID 54879243

IUPAC3-(4-acetamidoanilino)-N,N-dimethylpropanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)N(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)15-12-6-4-11(5-7-12)14-9-8-13(18)16(2)3/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyFLLMRRGTRVHYIK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.54
Rot. Bonds5

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

3-(4-acetamidoanilino)-N,N-dimethylpropanamide (PubChem CID 54879243) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-N,N-dimethylpropanamide
PubChem CID54879243
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-acetamidoanilino)-N,N-dimethylpropanamide
SMILESCC(=O)Nc1ccc(NCCC(=O)N(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)15-12-6-4-11(5-7-12)14-9-8-13(18)16(2)3/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyFLLMRRGTRVHYIK-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-anilino-N,N-dimethylpropanamide
CID 60961994
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 60961200

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-acetamidoanilino)-N,N-dimethylpropanamide (CID 54879243) is 3-(4-acetamidoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-N,N-dimethylpropanamide is CC(=O)Nc1ccc(NCCC(=O)N(C)C)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-N,N-dimethylpropanamide?
The InChIKey is FLLMRRGTRVHYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)15-12-6-4-11(5-7-12)14-9-8-13(18)16(2)3/h4-7,14H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-(4-acetamidoanilino)-N,N-dimethylpropanamide?
3-(4-acetamidoanilino)-N,N-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).