3-amino-4-methyl-N-(2-methylpropyl)benzamide

• ChemBase ID: 308507
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(=O)(c1cc(c(cc1)C)N)NCC(C)C
• Canonical SMILES: CC(CNC(=O)c1ccc(c(c1)N)C)C
• InChI: InChI=1S/C12H18N2O/c1-8(2)7-14-12(15)10-5-4-9(3)11(13)6-10/h4-6,8H,7,13H2,1-3H3,(H,14,15)
• InChIKey: ZJXMCXACXBHAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-methyl-N-(2-methylpropyl)benzamide
• IUPAC Traditional name: 3-amino-4-methyl-N-(2-methylpropyl)benzamide
• Synonyms: 3-amino-N-isobutyl-4-methylbenzamide

Database IDs

• CAS Number: 76765-64-5
• MDL Number: MFCD09050288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9741285
• LogD (pH = 7.4): 1.9763327
• Log P: 1.9763608
• Molar Refractivity: 63.5189 cm^3
• Polarizability: 23.429125 Å^3
• Polar Surface Area: 55.12 Å^2