2-methoxy-N-[4-methyl-3-({methyl[2-(pyridin-2-yl)ethyl]carbamoyl}amino)phenyl]acetamide

• ChemBase ID: 348999
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(Nc1cc(NC(=O)COC)ccc1C)N(CCc1ncccc1)C
• Canonical SMILES: COCC(=O)Nc1ccc(c(c1)NC(=O)N(CCc1ccccn1)C)C
• InChI: InChI=1S/C19H24N4O3/c1-14-7-8-16(21-18(24)13-26-3)12-17(14)22-19(25)23(2)11-9-15-6-4-5-10-20-15/h4-8,10,12H,9,11,13H2,1-3H3,(H,21,24)(H,22,25)
• InChIKey: ZEDLSCQGJVMVPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[4-methyl-3-({methyl[2-(pyridin-2-yl)ethyl]carbamoyl}amino)phenyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[4-methyl-3-({methyl[2-(pyridin-2-yl)ethyl]carbamoyl}amino)phenyl]acetamide
• Synonyms: 2-methoxy-N-[4-methyl-3-({[methyl(2-pyridin-2-ylethyl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.865072
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.683087
• LogD (pH = 7.4): 1.7264725
• Log P: 1.7270583
• Molar Refractivity: 102.3816 cm^3
• Polarizability: 37.90843 Å^3
• Polar Surface Area: 83.56 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: 1.4
• LOG S: -1.69
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 7