N-(2-amino-4-methoxyphenyl)butanamide

• ChemBase ID: 308188
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: N(c1c(cc(cc1)OC)N)C(=O)CCC
• Canonical SMILES: CCCC(=O)Nc1ccc(cc1N)OC
• InChI: InChI=1S/C11H16N2O2/c1-3-4-11(14)13-10-6-5-8(15-2)7-9(10)12/h5-7H,3-4,12H2,1-2H3,(H,13,14)
• InChIKey: HKSZLVJMRFFXBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methoxyphenyl)butanamide
• IUPAC Traditional name: N-(2-amino-4-methoxyphenyl)butanamide
• Synonyms: N-(2-amino-4-methoxyphenyl)butanamide

Database IDs

• CAS Number: 67169-90-8
• MDL Number: MFCD09814640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3682449
• LogD (pH = 7.4): 1.3694481
• Log P: 1.3694634
• Molar Refractivity: 61.3125 cm^3
• Polarizability: 22.550428 Å^3
• Polar Surface Area: 64.35 Å^2