N-(2-amino-5-methoxyphenyl)-2-methylpropanamide

• ChemBase ID: 311425
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: N(C(=O)C(C)C)c1cc(ccc1N)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)C(C)C)N
• InChI: InChI=1S/C11H16N2O2/c1-7(2)11(14)13-10-6-8(15-3)4-5-9(10)12/h4-7H,12H2,1-3H3,(H,13,14)
• InChIKey: VEPITULHRQJKJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-5-methoxyphenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(2-amino-5-methoxyphenyl)-2-methylpropanamide
• Synonyms: N-(2-amino-5-methoxyphenyl)-2-methylpropanamide

Database IDs

• CAS Number: 903822-32-2
• MDL Number: MFCD02031879

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4493747
• LogD (pH = 7.4): 1.4676427
• Log P: 1.4678811
• Molar Refractivity: 61.286 cm^3
• Polarizability: 22.550024 Å^3
• Polar Surface Area: 64.35 Å^2