N-(1H-indol-6-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 224765
• Molecular Formular: C19H17N3O2
• Molecular Mass: 319.35718
• Monoisotopic Mass: 319.1320768
• SMILES: n1(c2c(cc1)c(OC)ccc2)CC(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: COc1cccc2c1ccn2CC(=O)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C19H17N3O2/c1-24-18-4-2-3-17-15(18)8-10-22(17)12-19(23)21-14-6-5-13-7-9-20-16(13)11-14/h2-11,20H,12H2,1H3,(H,21,23)
• InChIKey: JWQWAHNPVFELMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-6-yl)-2-(4-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164280675
• PubChem CID: 52905291

CALCULATED PROPERTIES

• Acid pKa: 13.003557
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1490598
• LogD (pH = 7.4): 3.1490588
• Log P: 3.1490598
• Molar Refractivity: 93.9528 cm^3
• Polarizability: 37.78458 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