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

• ChemBase ID: 193300
• Molecular Formular: C24H29NO7
• Molecular Mass: 443.48956
• Monoisotopic Mass: 443.19440227
• SMILES: c1(c(c(/C=C/C(=O)c2cc(c(cc2CCNC(=O)C)OC)OC)ccc1OC)OC)OC
• Canonical SMILES: COc1cc(C(=O)/C=C/c2ccc(c(c2OC)OC)OC)c(cc1OC)CCNC(=O)C
• InChI: InChI=1S/C24H29NO7/c1-15(26)25-12-11-17-13-21(29-3)22(30-4)14-18(17)19(27)9-7-16-8-10-20(28-2)24(32-6)23(16)31-5/h7-10,13-14H,11-12H2,1-6H3,(H,25,26)/b9-7+
• InChIKey: JCXMNHQXNHEWDP-VQHVLOKHSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249210
• PubChem CID: 5919533

CALCULATED PROPERTIES

• Acid pKa: 14.935239
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.3352451
• LogD (pH = 7.4): 2.3352451
• Log P: 2.3352451
• Molar Refractivity: 121.8652 cm^3
• Polarizability: 46.520966 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds