2-(1H-indol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 225756
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: n1(ccc2c1cccc2)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cn1ccc3c1cccc3)c[nH]2
• InChI: InChI=1S/C21H21N3O2/c1-26-17-6-7-19-18(12-17)16(13-23-19)8-10-22-21(25)14-24-11-9-15-4-2-3-5-20(15)24/h2-7,9,11-13,23H,8,10,14H2,1H3,(H,22,25)
• InChIKey: FWCYVHRALLHBTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281666
• PubChem CID: 71753529

CALCULATED PROPERTIES

• Acid pKa: 15.557793
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1446257
• LogD (pH = 7.4): 3.1446257
• Log P: 3.1446257
• Molar Refractivity: 101.762 cm^3
• Polarizability: 41.485256 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds