N-(1H-indol-4-yl)-2-(5-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 225467
• Molecular Formular: C19H17N3O2
• Molecular Mass: 319.35718
• Monoisotopic Mass: 319.1320768
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)Nc1c2c([nH]cc2)ccc1
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C19H17N3O2/c1-24-14-5-6-18-13(11-14)8-10-22(18)12-19(23)21-17-4-2-3-16-15(17)7-9-20-16/h2-11,20H,12H2,1H3,(H,21,23)
• InChIKey: OEMCYDNPXOUMJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-4-yl)-2-(5-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-(1H-indol-4-yl)-2-(5-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281377
• PubChem CID: 56763664

CALCULATED PROPERTIES

• Acid pKa: 12.550187
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1490598
• LogD (pH = 7.4): 3.149057
• Log P: 3.1490598
• Molar Refractivity: 93.9528 cm^3
• Polarizability: 37.783154 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds