N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-1H-indole-6-carboxamide

• ChemBase ID: 228083
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c12n(ccc2ccc(c1)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC)CCOC
• Canonical SMILES: COCCn1ccc2c1cc(cc2)C(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C23H25N3O3/c1-28-12-11-26-10-8-16-3-4-17(13-22(16)26)23(27)24-9-7-18-15-25-21-6-5-19(29-2)14-20(18)21/h3-6,8,10,13-15,25H,7,9,11-12H2,1-2H3,(H,24,27)
• InChIKey: AVYWVAZWVIJIMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-1H-indole-6-carboxamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)indole-6-carboxamide

Database IDs

• PubChem SID: 164283993
• PubChem CID: 71755199

CALCULATED PROPERTIES

• Acid pKa: 14.967715
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2772496
• LogD (pH = 7.4): 3.2772498
• Log P: 3.2772498
• Molar Refractivity: 113.9771 cm^3
• Polarizability: 45.528156 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds