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

• ChemBase ID: 311400
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(NCC(C)C)c1cc(N)ccc1
• Canonical SMILES: CC(CNC(=O)c1cccc(c1)N)C
• InChI: InChI=1S/C11H16N2O/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3,(H,13,14)
• InChIKey: YZWZQGUCOQSFKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methylpropyl)benzamide
• IUPAC Traditional name: 3-amino-N-(2-methylpropyl)benzamide
• Synonyms: 3-amino-N-isobutylbenzamide

Database IDs

• CAS Number: 81882-64-6
• MDL Number: MFCD01811251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4600471
• LogD (pH = 7.4): 1.4629029
• Log P: 1.4629394
• Molar Refractivity: 58.4777 cm^3
• Polarizability: 21.664171 Å^3
• Polar Surface Area: 55.12 Å^2