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

• ChemBase ID: 228254
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c12OCCc2ccc(c1)CC(=O)NCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CNC(=O)Cc2ccc3c(c2)OCC3)ccc1OC
• InChI: InChI=1S/C19H21NO4/c1-22-16-6-4-14(10-18(16)23-2)12-20-19(21)11-13-3-5-15-7-8-24-17(15)9-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,21)
• InChIKey: HNYPJZZPDUMLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164284164
• PubChem CID: 71755368

CALCULATED PROPERTIES

• Acid pKa: 15.079401
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3190753
• LogD (pH = 7.4): 2.3190753
• Log P: 2.3190753
• Molar Refractivity: 91.3963 cm^3
• Polarizability: 35.239647 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds