3-(4-hydroxyphenyl)-N-(3-methoxypropyl)-2-phenylpropanamide

• ChemBase ID: 735385
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: C(=O)(C(Cc1ccc(cc1)O)c1ccccc1)NCCCOC
• Canonical SMILES: COCCCNC(=O)C(c1ccccc1)Cc1ccc(cc1)O
• InChI: InChI=1S/C19H23NO3/c1-23-13-5-12-20-19(22)18(16-6-3-2-4-7-16)14-15-8-10-17(21)11-9-15/h2-4,6-11,18,21H,5,12-14H2,1H3,(H,20,22)
• InChIKey: KXLWSSYHWGCIBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)-N-(3-methoxypropyl)-2-phenylpropanamide
• IUPAC Traditional name: 3-(4-hydroxyphenyl)-N-(3-methoxypropyl)-2-phenylpropanamide
• Synonyms: 3-(4-hydroxyphenyl)-N-(3-methoxypropyl)-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.504762
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8584626
• LogD (pH = 7.4): 2.8551264
• Log P: 2.8585055
• Molar Refractivity: 91.2448 cm^3
• Polarizability: 35.315525 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -2.76
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8