2-[6-(benzyloxy)-1H-indol-1-yl]-N-(1H-indol-5-yl)acetamide

• ChemBase ID: 226090
• Molecular Formular: C25H21N3O2
• Molecular Mass: 395.45314
• Monoisotopic Mass: 395.16337693
• SMILES: n1(c2c(cc1)ccc(c2)OCc1ccccc1)CC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Cn1ccc2c1cc(OCc1ccccc1)cc2)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C25H21N3O2/c29-25(27-21-7-9-23-20(14-21)10-12-26-23)16-28-13-11-19-6-8-22(15-24(19)28)30-17-18-4-2-1-3-5-18/h1-15,26H,16-17H2,(H,27,29)
• InChIKey: MRFGGHGGARXSOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(benzyloxy)-1H-indol-1-yl]-N-(1H-indol-5-yl)acetamide
• IUPAC Traditional name: 2-[6-(benzyloxy)indol-1-yl]-N-(1H-indol-5-yl)acetamide

Database IDs

• PubChem SID: 164282000
• PubChem CID: 71692069

CALCULATED PROPERTIES

• Acid pKa: 13.139431
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.873533
• LogD (pH = 7.4): 4.8735323
• Log P: 4.873533
• Molar Refractivity: 118.5654 cm^3
• Polarizability: 47.414303 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