3-amino-4-methyl-N-(propan-2-yl)benzamide

• ChemBase ID: 308201
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(c1cc(c(cc1)C)N)NC(C)C
• Canonical SMILES: CC(NC(=O)c1ccc(c(c1)N)C)C
• InChI: InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-5-4-8(3)10(12)6-9/h4-7H,12H2,1-3H3,(H,13,14)
• InChIKey: BOJJGTFACPPFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methyl-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 3-amino-N-isopropyl-4-methylbenzamide
• Synonyms: 3-amino-N-isopropyl-4-methylbenzamide

Database IDs

• CAS Number: 76765-62-3
• MDL Number: MFCD09049376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5033014
• LogD (pH = 7.4): 1.5054135
• Log P: 1.5054406
• Molar Refractivity: 58.9421 cm^3
• Polarizability: 21.586666 Å^3
• Polar Surface Area: 55.12 Å^2