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

• ChemBase ID: 227247
• Molecular Formular: C20H20N2O2
• Molecular Mass: 320.385
• Monoisotopic Mass: 320.15247789
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)Cc1cc2OCCc2cc1
• Canonical SMILES: O=C(Cc1ccc2c(c1)OCC2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H20N2O2/c23-20(12-14-5-6-15-8-10-24-19(15)11-14)21-9-7-16-13-22-18-4-2-1-3-17(16)18/h1-6,11,13,22H,7-10,12H2,(H,21,23)
• InChIKey: GWCODMTZSBXJAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283157
• PubChem CID: 71754378

CALCULATED PROPERTIES

• Acid pKa: 15.5994835
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.021841
• LogD (pH = 7.4): 3.021841
• Log P: 3.021841
• Molar Refractivity: 94.3114 cm^3
• Polarizability: 37.274654 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds