N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-(phenylformamido)acetamide

• ChemBase ID: 858805
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: N(Cc1c(OC)cccc1)(C1CC1)C(=O)CNC(=O)c1ccccc1
• Canonical SMILES: COc1ccccc1CN(C(=O)CNC(=O)c1ccccc1)C1CC1
• InChI: InChI=1S/C20H22N2O3/c1-25-18-10-6-5-9-16(18)14-22(17-11-12-17)19(23)13-21-20(24)15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,21,24)
• InChIKey: VWGGCLBHYXUKGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-(phenylformamido)acetamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-(phenylformamido)acetamide
• Synonyms: N-{2-[cyclopropyl(2-methoxybenzyl)amino]-2-oxoethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.949777
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1983213
• LogD (pH = 7.4): 2.1983213
• Log P: 2.1983213
• Molar Refractivity: 96.0203 cm^3
• Polarizability: 36.797657 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.41
• LOG S: -3.73
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7