N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide

• ChemBase ID: 218145
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(C(=O)NCCc2c[nH]c3c2cccc3)c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1C(=O)NCCc1c[nH]c2c1cccc2)OC
• InChI: InChI=1S/C19H20N2O3/c1-23-16-8-5-9-17(24-2)18(16)19(22)20-11-10-13-12-21-15-7-4-3-6-14(13)15/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
• InChIKey: ZPIKOXAOMHTASS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethoxybenzamide

Database IDs

• PubChem SID: 164274055
• PubChem CID: 16408123

CALCULATED PROPERTIES

• Log P: 2.844116
• Molar Refractivity: 93.4136 cm^3
• Polarizability: 36.682304 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.382597
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.844116
• LogD (pH = 7.4): 2.8441155

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds