N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 216536
• Molecular Formular: C26H28N2O5
• Molecular Mass: 448.51092
• Monoisotopic Mass: 448.19982201
• SMILES: c12c(c(cc(=O)o1)CCC)ccc(c2C)OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc(c2C)OCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C26H28N2O5/c1-4-5-17-12-25(30)33-26-16(2)23(9-7-20(17)26)32-15-24(29)27-11-10-18-14-28-22-8-6-19(31-3)13-21(18)22/h6-9,12-14,28H,4-5,10-11,15H2,1-3H3,(H,27,29)
• InChIKey: QGRHXINRWYSJAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(8-methyl-2-oxo-4-propylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164272446
• PubChem CID: 16406836

CALCULATED PROPERTIES

• Acid pKa: 14.82555
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.1765833
• LogD (pH = 7.4): 4.1765833
• Log P: 4.1765833
• Molar Refractivity: 126.2578 cm^3
• Polarizability: 49.547955 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds