N-(2-{2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxyphenyl}ethyl)acetamide

• ChemBase ID: 193411
• Molecular Formular: C23H27NO6
• Molecular Mass: 413.46358
• Monoisotopic Mass: 413.18383759
• SMILES: c1(cc(c(cc1CCNC(=O)C)OC)OC)C(=O)/C=C/c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(C(=O)/C=C/c2ccc(c(c2)OC)OC)c(cc1OC)CCNC(=O)C
• InChI: InChI=1S/C23H27NO6/c1-15(25)24-11-10-17-13-22(29-4)23(30-5)14-18(17)19(26)8-6-16-7-9-20(27-2)21(12-16)28-3/h6-9,12-14H,10-11H2,1-5H3,(H,24,25)/b8-6+
• InChIKey: KLOOXPPTOMERNB-SOFGYWHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxyphenyl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4,5-dimethoxyphenyl}ethyl)acetamide

Database IDs

• PubChem SID: 164249321
• PubChem CID: 5919554

CALCULATED PROPERTIES

• Acid pKa: 15.133025
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.4929163
• LogD (pH = 7.4): 2.4929166
• Log P: 2.4929166
• Molar Refractivity: 115.402 cm^3
• Polarizability: 43.98538 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds