N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 218834
• Molecular Formular: C23H22N2O5
• Molecular Mass: 406.43118
• Monoisotopic Mass: 406.15287181
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCCc1c2c([nH]c1)cc(cc2)OC)C
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C23H22N2O5/c1-14-9-23(27)30-21-11-17(4-5-18(14)21)29-13-22(26)24-8-7-15-12-25-20-10-16(28-2)3-6-19(15)20/h3-6,9-12,25H,7-8,13H2,1-2H3,(H,24,26)
• InChIKey: UAJMHRQMGNXTCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164274744
• PubChem CID: 16408780

CALCULATED PROPERTIES

• Acid pKa: 14.794082
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7740247
• LogD (pH = 7.4): 2.7740247
• Log P: 2.7740247
• Molar Refractivity: 112.0146 cm^3
• Polarizability: 44.097237 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds