2-(2,3-dihydro-1-benzofuran-6-yl)-N-(4-phenylbutan-2-yl)acetamide

• ChemBase ID: 227407
• Molecular Formular: C20H23NO2
• Molecular Mass: 309.40212
• Monoisotopic Mass: 309.17287898
• SMILES: C(=O)(NC(CCc1ccccc1)C)Cc1cc2OCCc2cc1
• Canonical SMILES: CC(NC(=O)Cc1ccc2c(c1)OCC2)CCc1ccccc1
• InChI: InChI=1S/C20H23NO2/c1-15(7-8-16-5-3-2-4-6-16)21-20(22)14-17-9-10-18-11-12-23-19(18)13-17/h2-6,9-10,13,15H,7-8,11-12,14H2,1H3,(H,21,22)
• InChIKey: CEBWOIWSJSEHRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-(4-phenylbutan-2-yl)acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1-benzofuran-6-yl)-N-(4-phenylbutan-2-yl)acetamide

Database IDs

• PubChem SID: 164283317
• PubChem CID: 71754536

CALCULATED PROPERTIES

• Acid pKa: 15.669125
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7842228
• LogD (pH = 7.4): 3.7842228
• Log P: 3.7842228
• Molar Refractivity: 92.2447 cm^3
• Polarizability: 35.74182 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds