N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide

• ChemBase ID: 212921
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(c2c(oc(=O)c1C)cc(cc2OCC(=O)NCCc1c[nH]c2c1cccc2)C)C
• Canonical SMILES: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H24N2O4/c1-14-10-20(23-15(2)16(3)24(28)30-21(23)11-14)29-13-22(27)25-9-8-17-12-26-19-7-5-4-6-18(17)19/h4-7,10-12,26H,8-9,13H2,1-3H3,(H,25,27)
• InChIKey: MPBSDEOKEAJHRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[(3,4,7-trimethyl-2-oxochromen-5-yl)oxy]acetamide

Database IDs

• PubChem SID: 164268831
• PubChem CID: 4966198

CALCULATED PROPERTIES

• Acid pKa: 15.033606
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.840668
• LogD (pH = 7.4): 3.840668
• Log P: 3.840668
• Molar Refractivity: 114.9497 cm^3
• Polarizability: 45.193768 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds