N-[4-(2-hydroxy-2-phenylpropanamido)phenyl]pentanamide

• ChemBase ID: 597848
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(C(c1ccccc1)(O)C)Nc1ccc(NC(=O)CCCC)cc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)C(c1ccccc1)(O)C
• InChI: InChI=1S/C20H24N2O3/c1-3-4-10-18(23)21-16-11-13-17(14-12-16)22-19(24)20(2,25)15-8-6-5-7-9-15/h5-9,11-14,25H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: RDDHFKKKIIOIKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-hydroxy-2-phenylpropanamido)phenyl]pentanamide
• IUPAC Traditional name: N-[4-(2-hydroxy-2-phenylpropanamido)phenyl]pentanamide
• Synonyms: N-{4-[(2-hydroxy-2-phenylpropanoyl)amino]phenyl}pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.114061
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.590287
• LogD (pH = 7.4): 3.5902786
• Log P: 3.590287
• Molar Refractivity: 100.3863 cm^3
• Polarizability: 37.658142 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.92
• LOG S: -4.17
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 7