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

• ChemBase ID: 225664
• Molecular Formular: C24H24N2O5
• Molecular Mass: 420.45776
• Monoisotopic Mass: 420.16852188
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)OC)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)OC
• InChI: InChI=1S/C24H24N2O5/c1-15-17-8-7-16(30-3)13-22(17)31-24(28)19(15)14-23(27)25-20-5-4-6-21-18(20)9-10-26(21)11-12-29-2/h4-10,13H,11-12,14H2,1-3H3,(H,25,27)
• InChIKey: VWEFXNDJLXTZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281574
• PubChem CID: 71753443

CALCULATED PROPERTIES

• Acid pKa: 10.940329
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1547232
• LogD (pH = 7.4): 3.1545997
• Log P: 3.1547248
• Molar Refractivity: 118.2213 cm^3
• Polarizability: 45.86717 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds