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

• ChemBase ID: 223219
• Molecular Formular: C26H23N3O
• Molecular Mass: 393.48032
• Monoisotopic Mass: 393.18411237
• SMILES: n1(c(cc2c1cccc2)c1ccccc1)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cn1c(cc2c1cccc2)c1ccccc1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C26H23N3O/c30-26(27-15-14-21-17-28-23-12-6-5-11-22(21)23)18-29-24-13-7-4-10-20(24)16-25(29)19-8-2-1-3-9-19/h1-13,16-17,28H,14-15,18H2,(H,27,30)
• InChIKey: WERQTZYZWDMTCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279129
• PubChem CID: 49652065

CALCULATED PROPERTIES

• Acid pKa: 15.69509
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 4.8695235
• LogD (pH = 7.4): 4.8695235
• Log P: 4.8695235
• Molar Refractivity: 120.3125 cm^3
• Polarizability: 50.10164 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds