N-[3-(benzyloxy)phenyl]-2-(1H-indol-3-yl)-2-oxoacetamide

• ChemBase ID: 90334
• Molecular Formular: C23H18N2O3
• Molecular Mass: 370.40062
• Monoisotopic Mass: 370.13174245
• SMILES: O(c1cc(ccc1)NC(=O)C(=O)c1c[nH]c2c1cccc2)Cc1ccccc1
• Canonical SMILES: O=C(C(=O)c1c[nH]c2c1cccc2)Nc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C23H18N2O3/c26-22(20-14-24-21-12-5-4-11-19(20)21)23(27)25-17-9-6-10-18(13-17)28-15-16-7-2-1-3-8-16/h1-14,24H,15H2,(H,25,27)
• InChIKey: PKAJTDYJPNBMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(benzyloxy)phenyl]-2-(1H-indol-3-yl)-2-oxoacetamide
• IUPAC Traditional name: N-[3-(benzyloxy)phenyl]-2-(1H-indol-3-yl)-2-oxoacetamide
• Synonyms: 2-Indol-3-yl-2-oxo-N-[3-(benzyloxy)phenyl]ethanamide; N-[3-(Benzyloxy)phenyl]-2-(1H-indol-3-yl)-2-oxoacetamide

Database IDs

• PubChem SID: 162104744
• PubChem CID: 4384571

CALCULATED PROPERTIES

• Acid pKa: 11.286906
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.5903525
• LogD (pH = 7.4): 4.5902996
• Log P: 4.590353
• Molar Refractivity: 108.6953 cm^3
• Polarizability: 42.192783 Å^3
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant