3-ethoxy-N-[3-(2-hydroxyphenyl)propyl]-4-(prop-2-en-1-yloxy)benzamide

• ChemBase ID: 431366
• Molecular Formular: C21H25NO4
• Molecular Mass: 355.4275
• Monoisotopic Mass: 355.17835829
• SMILES: C(=O)(c1cc(c(cc1)OCC=C)OCC)NCCCc1c(O)cccc1
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)NCCCc1ccccc1O
• InChI: InChI=1S/C21H25NO4/c1-3-14-26-19-12-11-17(15-20(19)25-4-2)21(24)22-13-7-9-16-8-5-6-10-18(16)23/h3,5-6,8,10-12,15,23H,1,4,7,9,13-14H2,2H3,(H,22,24)
• InChIKey: FHTJXLZERMGVMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-[3-(2-hydroxyphenyl)propyl]-4-(prop-2-en-1-yloxy)benzamide
• IUPAC Traditional name: 3-ethoxy-N-[3-(2-hydroxyphenyl)propyl]-4-(prop-2-en-1-yloxy)benzamide
• Synonyms: 4-(allyloxy)-3-ethoxy-N-[3-(2-hydroxyphenyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.370035
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.9743567
• LogD (pH = 7.4): 3.9698143
• Log P: 3.974415
• Molar Refractivity: 102.8203 cm^3
• Polarizability: 39.199512 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.8
• LOG S: -4.46
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 10