4-(3-acetyl-4-aminoanilino)butanamide

C12H17N3O2 — CID 113432981

IUPAC4-(3-acetyl-4-aminoanilino)butanamide
SMILESCC(=O)c1cc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C12H17N3O2/c1-8(16)10-7-9(4-5-11(10)13)15-6-2-3-12(14)17/h4-5,7,15H,2-3,6,13H2,1H3,(H2,14,17)
InChIKeyYDMLCGQQSQRMKT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.15
Rot. Bonds6

About 4-(3-acetyl-4-aminoanilino)butanamide

4-(3-acetyl-4-aminoanilino)butanamide (PubChem CID 113432981) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-acetyl-4-aminoanilino)butanamide.

Molecular Properties

Compound Name4-(3-acetyl-4-aminoanilino)butanamide
PubChem CID113432981
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-acetyl-4-aminoanilino)butanamide
SMILESCC(=O)c1cc(NCCCC(N)=O)ccc1N
InChIInChI=1S/C12H17N3O2/c1-8(16)10-7-9(4-5-11(10)13)15-6-2-3-12(14)17/h4-5,7,15H,2-3,6,13H2,1H3,(H2,14,17)
InChIKeyYDMLCGQQSQRMKT-UHFFFAOYSA-N
XLogP1.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(2-methylsulfanylethylamino)phenyl]ethanone
CID 104612845
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208
3-[2-(3-acetyl-4-aminoanilino)ethyl]-1,1-dimethylurea
CID 104613081
1-[2-amino-5-[2-(trifluoromethylsulfanyl)ethylamino]phenyl]ethanone
CID 114187363
3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
CID 104612970
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
1-[2-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]ethanone
CID 104612210
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-4-aminoanilino)butanamide?
The IUPAC name of 4-(3-acetyl-4-aminoanilino)butanamide (CID 113432981) is 4-(3-acetyl-4-aminoanilino)butanamide.
What is the SMILES notation for 4-(3-acetyl-4-aminoanilino)butanamide?
The canonical SMILES for 4-(3-acetyl-4-aminoanilino)butanamide is CC(=O)c1cc(NCCCC(N)=O)ccc1N.
What is the InChIKey of 4-(3-acetyl-4-aminoanilino)butanamide?
The InChIKey is YDMLCGQQSQRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)10-7-9(4-5-11(10)13)15-6-2-3-12(14)17/h4-5,7,15H,2-3,6,13H2,1H3,(H2,14,17).
What are the key properties of 4-(3-acetyl-4-aminoanilino)butanamide?
4-(3-acetyl-4-aminoanilino)butanamide has a molecular weight of 235.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-4-aminoanilino)butanamide is sourced from PubChem (CID 113432981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).