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

• ChemBase ID: 227436
• Molecular Formular: C19H21NO3
• Molecular Mass: 311.37494
• Monoisotopic Mass: 311.15214354
• SMILES: c12OCCc2ccc(c1)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1ccc2c(c1)OCC2
• InChI: InChI=1S/C19H21NO3/c1-22-17-6-3-14(4-7-17)8-10-20-19(21)13-15-2-5-16-9-11-23-18(16)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,21)
• InChIKey: MUJGCVANVJOICC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283346
• PubChem CID: 71754565

CALCULATED PROPERTIES

• Acid pKa: 15.465113
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7654078
• LogD (pH = 7.4): 2.7654078
• Log P: 2.7654078
• Molar Refractivity: 89.6881 cm^3
• Polarizability: 34.56113 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds