N-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 226072
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: n1(c2c(cc1)c(OC)ccc2)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cccc2c1ccn2CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H21N3O2/c1-26-20-8-4-7-19-17(20)10-12-24(19)14-21(25)22-11-9-15-13-23-18-6-3-2-5-16(15)18/h2-8,10,12-13,23H,9,11,14H2,1H3,(H,22,25)
• InChIKey: VVTXNUNVQDAINV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281982
• PubChem CID: 71692051

CALCULATED PROPERTIES

• Acid pKa: 15.525707
• 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: 41.48928 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