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

• ChemBase ID: 219043
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C22H23N3O3/c1-25-20-7-5-16(27-2)10-15(20)11-21(25)22(26)23-9-8-14-13-24-19-6-4-17(28-3)12-18(14)19/h4-7,10-13,24H,8-9H2,1-3H3,(H,23,26)
• InChIKey: AFDKDYVBGGRQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274953
• PubChem CID: 16408969

CALCULATED PROPERTIES

• Acid pKa: 15.866696
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.086555
• LogD (pH = 7.4): 3.0865552
• Log P: 3.0865552
• Molar Refractivity: 109.2743 cm^3
• Polarizability: 43.67007 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds