2-(methylamino)-N-[3-(2-phenylacetamido)phenyl]acetamide

• ChemBase ID: 365573
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: C(=O)(Nc1cc(NC(=O)CNC)ccc1)Cc1ccccc1
• Canonical SMILES: CNCC(=O)Nc1cccc(c1)NC(=O)Cc1ccccc1
• InChI: InChI=1S/C17H19N3O2/c1-18-12-17(22)20-15-9-5-8-14(11-15)19-16(21)10-13-6-3-2-4-7-13/h2-9,11,18H,10,12H2,1H3,(H,19,21)(H,20,22)
• InChIKey: HTPDBULGCFYUFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1252165
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.9902548
• LogD (pH = 7.4): 0.6927727
• Log P: 1.7914569
• Molar Refractivity: 88.6402 cm^3
• Polarizability: 33.047153 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.15
• LOG S: -2.35
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 6