N-[3-(2-hydroxyphenyl)propyl]-2-(4-propanoylphenoxy)acetamide

• ChemBase ID: 866011
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: C(=O)(NCCCc1c(O)cccc1)COc1ccc(C(=O)CC)cc1
• Canonical SMILES: CCC(=O)c1ccc(cc1)OCC(=O)NCCCc1ccccc1O
• InChI: InChI=1S/C20H23NO4/c1-2-18(22)16-9-11-17(12-10-16)25-14-20(24)21-13-5-7-15-6-3-4-8-19(15)23/h3-4,6,8-12,23H,2,5,7,13-14H2,1H3,(H,21,24)
• InChIKey: RFJKNVDWLPUFHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-hydroxyphenyl)propyl]-2-(4-propanoylphenoxy)acetamide
• IUPAC Traditional name: N-[3-(2-hydroxyphenyl)propyl]-2-(4-propanoylphenoxy)acetamide
• Synonyms: N-[3-(2-hydroxyphenyl)propyl]-2-(4-propionylphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.370036
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.122554
• LogD (pH = 7.4): 3.1180115
• Log P: 3.1226122
• Molar Refractivity: 96.3039 cm^3
• Polarizability: 37.19305 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.85
• LOG S: -3.54
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 9