2-[(2-methoxyethyl)(methyl)amino]-N-[3-(2-phenylacetamido)phenyl]acetamide

• ChemBase ID: 522127
• Molecular Formular: C20H25N3O3
• Molecular Mass: 355.4308
• Monoisotopic Mass: 355.18959168
• SMILES: C(=O)(Nc1cc(NC(=O)Cc2ccccc2)ccc1)CN(CCOC)C
• Canonical SMILES: COCCN(CC(=O)Nc1cccc(c1)NC(=O)Cc1ccccc1)C
• InChI: InChI=1S/C20H25N3O3/c1-23(11-12-26-2)15-20(25)22-18-10-6-9-17(14-18)21-19(24)13-16-7-4-3-5-8-16/h3-10,14H,11-13,15H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: WRYQQQXPBUZKSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)(methyl)amino]-N-[3-(2-phenylacetamido)phenyl]acetamide
• IUPAC Traditional name: 2-[(2-methoxyethyl)(methyl)amino]-N-[3-(2-phenylacetamido)phenyl]acetamide
• Synonyms: 2-[(2-methoxyethyl)(methyl)amino]-N-{3-[(phenylacetyl)amino]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.118911
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.78476006
• LogD (pH = 7.4): 2.024975
• Log P: 2.1275294
• Molar Refractivity: 104.9784 cm^3
• Polarizability: 39.26344 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.96
• LOG S: -3.47
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 9