3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 227171
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCc1cc2c(OCC2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CCc1ccc3c(c1)CCO3)c[nH]2
• InChI: InChI=1S/C22H24N2O3/c1-26-18-4-5-20-19(13-18)17(14-24-20)8-10-23-22(25)7-3-15-2-6-21-16(12-15)9-11-27-21/h2,4-6,12-14,24H,3,7-11H2,1H3,(H,23,25)
• InChIKey: ZBPRMNCBPZUFCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164283081
• PubChem CID: 71754303

CALCULATED PROPERTIES

• Acid pKa: 15.61292
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3087382
• LogD (pH = 7.4): 3.3087385
• Log P: 3.3087385
• Molar Refractivity: 105.3756 cm^3
• Polarizability: 41.617107 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds