N-[2-(1H-indol-3-yl)ethyl]-2-(7-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 222472
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cccc2c1n(cc2)CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H21N3O2/c1-26-19-8-4-5-15-10-12-24(21(15)19)14-20(25)22-11-9-16-13-23-18-7-3-2-6-17(16)18/h2-8,10,12-13,23H,9,11,14H2,1H3,(H,22,25)
• InChIKey: KKQOXILFZJIVIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-(7-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-(7-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164278382
• PubChem CID: 39378131

CALCULATED PROPERTIES

• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.5395565
• 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: 41.49178 Å^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds