1-(2-methoxyethyl)-N-[1-(2-methoxyethyl)-1H-indol-4-yl]-1H-indole-5-carboxamide

• ChemBase ID: 227540
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c12ccn(c1cccc2NC(=O)c1cc2c(n(cc2)CCOC)cc1)CCOC
• Canonical SMILES: COCCn1ccc2c1ccc(c2)C(=O)Nc1cccc2c1ccn2CCOC
• InChI: InChI=1S/C23H25N3O3/c1-28-14-12-25-10-8-17-16-18(6-7-21(17)25)23(27)24-20-4-3-5-22-19(20)9-11-26(22)13-15-29-2/h3-11,16H,12-15H2,1-2H3,(H,24,27)
• InChIKey: SMRIWHBXYARTBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283450
• PubChem CID: 71754669

CALCULATED PROPERTIES

• Acid pKa: 11.314331
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.616055
• LogD (pH = 7.4): 3.6160054
• Log P: 3.6160557
• Molar Refractivity: 115.6449 cm^3
• Polarizability: 45.65139 Å^3
• Polar Surface Area: 57.42 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds