N-{2-[2-(benzyloxy)acetamido]-5-methoxyphenyl}-2-methylpropanamide

• ChemBase ID: 677488
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: N(C(=O)C(C)C)c1c(NC(=O)COCc2ccccc2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)NC(=O)C(C)C)NC(=O)COCc1ccccc1
• InChI: InChI=1S/C20H24N2O4/c1-14(2)20(24)22-18-11-16(25-3)9-10-17(18)21-19(23)13-26-12-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
• InChIKey: VCLHSRPOCJTPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(benzyloxy)acetamido]-5-methoxyphenyl}-2-methylpropanamide
• IUPAC Traditional name: N-{2-[2-(benzyloxy)acetamido]-5-methoxyphenyl}-2-methylpropanamide
• Synonyms: N-(2-{[(benzyloxy)acetyl]amino}-5-methoxyphenyl)-2-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.134084
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.084869
• LogD (pH = 7.4): 3.0848613
• Log P: 3.084869
• Molar Refractivity: 102.5146 cm^3
• Polarizability: 38.414722 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.52
• LOG S: -3.95
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8