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

• ChemBase ID: 227623
• Molecular Formular: C18H19NO3
• Molecular Mass: 297.34836
• Monoisotopic Mass: 297.13649347
• SMILES: c12OCCc2ccc(c1)CC(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)Cc1ccc2c(c1)OCC2
• InChI: InChI=1S/C18H19NO3/c1-21-16-6-3-13(4-7-16)12-19-18(20)11-14-2-5-15-8-9-22-17(15)10-14/h2-7,10H,8-9,11-12H2,1H3,(H,19,20)
• InChIKey: OXVLHDYMAQCHNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283533
• PubChem CID: 71754745

CALCULATED PROPERTIES

• Acid pKa: 15.229382
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4767466
• LogD (pH = 7.4): 2.4767466
• Log P: 2.4767466
• Molar Refractivity: 84.9331 cm^3
• Polarizability: 32.716988 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds