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

• ChemBase ID: 216583
• Molecular Formular: C26H28N2O5
• Molecular Mass: 448.51092
• Monoisotopic Mass: 448.19982201
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c(OCC(=O)NCCc1c[nH]c3c1cc(OC)cc3)cc(c2)C
• InChI: InChI=1S/C26H28N2O5/c1-4-5-17-12-25(30)33-23-11-16(2)10-22(26(17)23)32-15-24(29)27-9-8-18-14-28-21-7-6-19(31-3)13-20(18)21/h6-7,10-14,28H,4-5,8-9,15H2,1-3H3,(H,27,29)
• InChIKey: UCEADAUVPXWRPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164272493
• PubChem CID: 16406866

CALCULATED PROPERTIES

• Acid pKa: 14.968372
• 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: 49.54802 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