N-(2-amino-4-methylphenyl)-2-methylpropanamide

• ChemBase ID: 308519
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(Nc1c(cc(cc1)C)N)C(C)C
• Canonical SMILES: O=C(C(C)C)Nc1ccc(cc1N)C
• InChI: InChI=1S/C11H16N2O/c1-7(2)11(14)13-10-5-4-8(3)6-9(10)12/h4-7H,12H2,1-3H3,(H,13,14)
• InChIKey: JWVLDJDEIYDEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-amino-4-methylphenyl)-2-methylpropanamide
• IUPAC Traditional name: N-(2-amino-4-methylphenyl)-2-methylpropanamide
• Synonyms: N-(2-amino-4-methylphenyl)-2-methylpropanamide

Database IDs

• CAS Number: 649763-42-8
• MDL Number: MFCD10686632

CALCULATED PROPERTIES

• Molar Refractivity: 59.864 cm^3
• Polarizability: 21.794594 Å^3
• Polar Surface Area: 55.12 Å^2
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.132719
• LogD (pH = 7.4): 2.1388943
• Log P: 2.1389737