N-[(4-acetamidophenyl)methyl]-2-[(2-phenylethyl)amino]acetamide

• ChemBase ID: 765287
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C(=O)(Nc1ccc(CNC(=O)CNCCc2ccccc2)cc1)C
• Canonical SMILES: O=C(NCc1ccc(cc1)NC(=O)C)CNCCc1ccccc1
• InChI: InChI=1S/C19H23N3O2/c1-15(23)22-18-9-7-17(8-10-18)13-21-19(24)14-20-12-11-16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3,(H,21,24)(H,22,23)
• InChIKey: GEUJWABBTZXAGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-acetamidophenyl)methyl]-2-[(2-phenylethyl)amino]acetamide
• IUPAC Traditional name: N-[(4-acetamidophenyl)methyl]-2-[(2-phenylethyl)amino]acetamide
• Synonyms: N-[4-(acetylamino)benzyl]-2-[(2-phenylethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.321161
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.2163675
• LogD (pH = 7.4): 0.40666184
• Log P: 1.6771561
• Molar Refractivity: 96.3401 cm^3
• Polarizability: 36.666126 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.73
• LOG S: -3.05
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 8