N-(3-amino-4-methylphenyl)butanamide

• ChemBase ID: 308031
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(cc(NC(=O)CCC)ccc1C)N
• Canonical SMILES: CCCC(=O)Nc1ccc(c(c1)N)C
• InChI: InChI=1S/C11H16N2O/c1-3-4-11(14)13-9-6-5-8(2)10(12)7-9/h5-7H,3-4,12H2,1-2H3,(H,13,14)
• InChIKey: AKSKCPZUDHYRBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-amino-4-methylphenyl)butanamide
• IUPAC Traditional name: N-(3-amino-4-methylphenyl)butanamide
• Synonyms: N-(3-amino-4-methylphenyl)butanamide

Database IDs

• CAS Number: 946769-29-5
• MDL Number: MFCD09936179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0308697
• LogD (pH = 7.4): 2.0404327
• Log P: 2.0405562
• Molar Refractivity: 59.8905 cm^3
• Polarizability: 21.794033 Å^3
• Polar Surface Area: 55.12 Å^2