4-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

• ChemBase ID: 218966
• Molecular Formular: C21H21N3O3
• Molecular Mass: 363.40974
• Monoisotopic Mass: 363.15829155
• SMILES: c1(cc2c([nH]1)cccc2OC)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1cc3c([nH]1)cccc3OC)c[nH]2
• InChI: InChI=1S/C21H21N3O3/c1-26-14-6-7-17-15(10-14)13(12-23-17)8-9-22-21(25)19-11-16-18(24-19)4-3-5-20(16)27-2/h3-7,10-12,23-24H,8-9H2,1-2H3,(H,22,25)
• InChIKey: LWYMMZUMYHTYBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
• IUPAC Traditional name: 4-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

Database IDs

• PubChem SID: 164274876
• PubChem CID: 16408900

CALCULATED PROPERTIES

• Acid pKa: 12.585731
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.862879
• LogD (pH = 7.4): 2.8628767
• Log P: 2.862879
• Molar Refractivity: 104.3776 cm^3
• Polarizability: 41.91142 Å^3
• Polar Surface Area: 79.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds