2-[2-(dimethylamino)-2-(4-methylphenyl)acetamido]-2-methylpropanamide

• ChemBase ID: 641798
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: C(=O)(NC(C(=O)N)(C)C)C(c1ccc(cc1)C)N(C)C
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NC(C(=O)N)(C)C)C
• InChI: InChI=1S/C15H23N3O2/c1-10-6-8-11(9-7-10)12(18(4)5)13(19)17-15(2,3)14(16)20/h6-9,12H,1-5H3,(H2,16,20)(H,17,19)
• InChIKey: RSARDLDJUCPXHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)-2-(4-methylphenyl)acetamido]-2-methylpropanamide
• IUPAC Traditional name: 2-[2-(dimethylamino)-2-(4-methylphenyl)acetamido]-2-methylpropanamide
• Synonyms: N~2~-[(dimethylamino)(4-methylphenyl)acetyl]-2-methylalaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.683966
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.37787884
• LogD (pH = 7.4): 1.0378164
• Log P: 1.2073078
• Molar Refractivity: 79.3047 cm^3
• Polarizability: 30.76276 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.78
• LOG S: -2.74
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 5