2-[cyclopropyl(pyridin-4-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide

• ChemBase ID: 825259
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: N(C1CC1)(CC(=O)Nc1c(NC(=O)C)cccc1)Cc1ccncc1
• Canonical SMILES: O=C(Nc1ccccc1NC(=O)C)CN(C1CC1)Cc1ccncc1
• InChI: InChI=1S/C19H22N4O2/c1-14(24)21-17-4-2-3-5-18(17)22-19(25)13-23(16-6-7-16)12-15-8-10-20-11-9-15/h2-5,8-11,16H,6-7,12-13H2,1H3,(H,21,24)(H,22,25)
• InChIKey: BDCGLVPRAIVKHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopropyl(pyridin-4-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide
• IUPAC Traditional name: 2-[cyclopropyl(pyridin-4-ylmethyl)amino]-N-(2-acetamidophenyl)acetamide
• Synonyms: N-[2-(acetylamino)phenyl]-2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.321703
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.09467544
• LogD (pH = 7.4): 1.2347466
• Log P: 1.3125303
• Molar Refractivity: 98.8799 cm^3
• Polarizability: 36.94333 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.7
• LOG S: -0.96
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 7