N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 218265
• Molecular Formular: C22H20N2O5
• Molecular Mass: 392.4046
• Monoisotopic Mass: 392.13722175
• SMILES: [nH]1c2c(c(c1)CCNC(=O)COc1cc3oc(=O)ccc3cc1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)COc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C22H20N2O5/c1-27-16-5-6-18-15(12-24-19(18)10-16)8-9-23-21(25)13-28-17-4-2-14-3-7-22(26)29-20(14)11-17/h2-7,10-12,24H,8-9,13H2,1H3,(H,23,25)
• InChIKey: IVGANHUOMMQADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-[(2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164274175
• PubChem CID: 16408240

CALCULATED PROPERTIES

• Acid pKa: 14.749888
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.47463
• LogD (pH = 7.4): 2.47463
• Log P: 2.47463
• Molar Refractivity: 107.7326 cm^3
• Polarizability: 42.256886 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