4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one

C16H19N3O — CID 58212344

IUPAC4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
SMILESNc1ccc(NCCCC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O/c17-13-5-3-12(4-6-13)16(20)2-1-11-19-15-9-7-14(18)8-10-15/h3-10,19H,1-2,11,17-18H2
InChIKeyKIJNSUVLDDGCBL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.93
Rot. Bonds6

About 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one

4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one (PubChem CID 58212344) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
PubChem CID58212344
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
SMILESNc1ccc(NCCCC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H19N3O/c17-13-5-3-12(4-6-13)16(20)2-1-11-19-15-9-7-14(18)8-10-15/h3-10,19H,1-2,11,17-18H2
InChIKeyKIJNSUVLDDGCBL-UHFFFAOYSA-N
XLogP2.93
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-4-hydroxybutan-1-one
CID 53407117
1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
CID 70882599
5-(4-acetamidophenyl)-5-oxopentanoic acid;5-(4-aminophenyl)-5-oxopentanoic acid
CID 158553917
N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
CID 161474898
1-phenyl-5-[4-(trifluoromethyl)anilino]pentan-1-one
CID 177394657
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
4-oxo-4-[4-(16,16,16-trifluorohexadecylamino)phenyl]butanoic acid
CID 20549352
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
N-[2-(4-aminoanilino)ethyl]-2,2,2-trifluoroacetamide;N-[6-(4-aminoanilino)hexyl]-2,2,2-trifluoroacetamide
CID 159031605
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one?
The IUPAC name of 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one (CID 58212344) is 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one.
What is the SMILES notation for 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one?
The canonical SMILES for 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one is Nc1ccc(NCCCC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one?
The InChIKey is KIJNSUVLDDGCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-5-3-12(4-6-13)16(20)2-1-11-19-15-9-7-14(18)8-10-15/h3-10,19H,1-2,11,17-18H2.
What are the key properties of 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one?
4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one is sourced from PubChem (CID 58212344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).