N-(3-{[(2-hydroxy-3-phenylpropyl)carbamoyl]methoxy}phenyl)propanamide

• ChemBase ID: 489836
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: C(=O)(NCC(Cc1ccccc1)O)COc1cc(NC(=O)CC)ccc1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)NCC(Cc1ccccc1)O
• InChI: InChI=1S/C20H24N2O4/c1-2-19(24)22-16-9-6-10-18(12-16)26-14-20(25)21-13-17(23)11-15-7-4-3-5-8-15/h3-10,12,17,23H,2,11,13-14H2,1H3,(H,21,25)(H,22,24)
• InChIKey: FUSQRRHFTSPIGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{[(2-hydroxy-3-phenylpropyl)carbamoyl]methoxy}phenyl)propanamide
• IUPAC Traditional name: N-(3-{[(2-hydroxy-3-phenylpropyl)carbamoyl]methoxy}phenyl)propanamide
• Synonyms: N-(3-{2-[(2-hydroxy-3-phenylpropyl)amino]-2-oxoethoxy}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.718851
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.0313368
• LogD (pH = 7.4): 2.0313368
• Log P: 2.031337
• Molar Refractivity: 100.1447 cm^3
• Polarizability: 38.35853 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.08
• LOG S: -3.57
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 9