2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide

• ChemBase ID: 227400
• Molecular Formular: C19H19NO4
• Molecular Mass: 325.35846
• Monoisotopic Mass: 325.13140809
• SMILES: c12OCCc2ccc(c1)CC(=O)NCC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)Cc1ccc2c(c1)OCC2
• InChI: InChI=1S/C19H19NO4/c1-23-16-6-4-14(5-7-16)17(21)12-20-19(22)11-13-2-3-15-8-9-24-18(15)10-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)
• InChIKey: AARZLUGIMMIEBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide

Database IDs

• PubChem SID: 164283310
• PubChem CID: 71754529

CALCULATED PROPERTIES

• Acid pKa: 12.813445
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9844959
• LogD (pH = 7.4): 1.9844944
• Log P: 1.9844959
• Molar Refractivity: 90.2222 cm^3
• Polarizability: 34.61884 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds