N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

• ChemBase ID: 193631
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: c1(c(c2c(o1)cccc2)NC(=O)C)C(=O)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)c1oc2c(c1NC(=O)C)cccc2)OC
• InChI: InChI=1S/C19H17NO5/c1-11(21)20-17-13-6-4-5-7-16(13)25-19(17)18(22)14-10-12(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,20,21)
• InChIKey: FSXWCCVGLWIGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide
• IUPAC Traditional name: N-[2-(2,5-dimethoxybenzoyl)-1-benzofuran-3-yl]acetamide

Database IDs

• PubChem SID: 164249541
• PubChem CID: 622408

CALCULATED PROPERTIES

• Acid pKa: 11.1757145
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0840902
• LogD (pH = 7.4): 3.084022
• Log P: 3.0840912
• Molar Refractivity: 93.1415 cm^3
• Polarizability: 36.28016 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds