N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetamide

• ChemBase ID: 216867
• Molecular Formular: C25H24N2O5
• Molecular Mass: 432.46846
• Monoisotopic Mass: 432.16852188
• SMILES: c1(=O)c2c(c3c(o1)cc(OCC(=O)NCCc1c4c([nH]c1)ccc(c4)OC)cc3)CCC2
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)COc1ccc3c(c1)oc(=O)c1c3CCC1)c[nH]2
• InChI: InChI=1S/C25H24N2O5/c1-30-16-6-8-22-21(11-16)15(13-27-22)9-10-26-24(28)14-31-17-5-7-19-18-3-2-4-20(18)25(29)32-23(19)12-17/h5-8,11-13,27H,2-4,9-10,14H2,1H3,(H,26,28)
• InChIKey: LJXDWRRZYFTOIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({4-oxo-1H,2H,3H-cyclopenta[c]chromen-7-yl}oxy)acetamide

Database IDs

• PubChem SID: 164272777
• PubChem CID: 16407047

CALCULATED PROPERTIES

• Acid pKa: 14.693936
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.150418
• LogD (pH = 7.4): 3.150418
• Log P: 3.150418
• Molar Refractivity: 119.1705 cm^3
• Polarizability: 47.05176 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds