2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 212394
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c12oc(=O)cc(c1ccc(c2)OC(C(=O)NCCc1c[nH]c2c1cccc2)C)CC
• Canonical SMILES: CCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NCCc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C24H24N2O4/c1-3-16-12-23(27)30-22-13-18(8-9-20(16)22)29-15(2)24(28)25-11-10-17-14-26-21-7-5-4-6-19(17)21/h4-9,12-15,26H,3,10-11H2,1-2H3,(H,25,28)
• InChIKey: GVTNWEHTWSNBCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164268304
• PubChem CID: 4964832

CALCULATED PROPERTIES

• Log P: 3.945029
• Molar Refractivity: 114.6463 cm^3
• Polarizability: 45.26959 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 14.855787
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.945029
• LogD (pH = 7.4): 3.945029

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds