(2E)-N-[(E)-2-hydroxybenzoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

• ChemBase ID: 194571
• Molecular Formular: C19H19NO6
• Molecular Mass: 357.35726
• Monoisotopic Mass: 357.12123733
• SMILES: C(=O)(c1c(O)cccc1)NC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(/C=C/C(=O)NC(=O)c2ccccc2O)cc(c1OC)OC
• InChI: InChI=1S/C19H19NO6/c1-24-15-10-12(11-16(25-2)18(15)26-3)8-9-17(22)20-19(23)13-6-4-5-7-14(13)21/h4-11,21H,1-3H3,(H,20,22,23)/b9-8+
• InChIKey: FNCWERYYYRVBPT-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N-[(E)-2-hydroxybenzoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• IUPAC Traditional name: (2E)-N-[(E)-2-hydroxybenzoyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Database IDs

• PubChem SID: 164250481
• PubChem CID: 1292184

CALCULATED PROPERTIES

• Acid pKa: 8.004474
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.043952
• LogD (pH = 7.4): 2.94884
• Log P: 3.0453472
• Molar Refractivity: 96.489 cm^3
• Polarizability: 36.381805 Å^3
• Polar Surface Area: 94.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds