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

• ChemBase ID: 311438
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1(C(=O)NCC(C)C)c(c(N)ccc1)C
• Canonical SMILES: CC(CNC(=O)c1cccc(c1C)N)C
• InChI: InChI=1S/C12H18N2O/c1-8(2)7-14-12(15)10-5-4-6-11(13)9(10)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
• InChIKey: XQTQSHKOGKEZOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 905234-59-5
• MDL Number: MFCD02032186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9734802
• LogD (pH = 7.4): 1.9763244
• Log P: 1.9763608
• Molar Refractivity: 63.5189 cm^3
• Polarizability: 23.430044 Å^3
• Polar Surface Area: 55.12 Å^2