N-[2-(2-methoxyphenoxy)ethyl]-1-methyl-1H-indole-5-carboxamide

• ChemBase ID: 225768
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: n1(c2c(cc1)cc(C(=O)NCCOc1c(OC)cccc1)cc2)C
• Canonical SMILES: COc1ccccc1OCCNC(=O)c1ccc2c(c1)ccn2C
• InChI: InChI=1S/C19H20N2O3/c1-21-11-9-14-13-15(7-8-16(14)21)19(22)20-10-12-24-18-6-4-3-5-17(18)23-2/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)
• InChIKey: HGRUZTVIXQTJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxyphenoxy)ethyl]-1-methyl-1H-indole-5-carboxamide
• IUPAC Traditional name: N-[2-(2-methoxyphenoxy)ethyl]-1-methylindole-5-carboxamide

Database IDs

• PubChem SID: 164281678
• PubChem CID: 71753541

CALCULATED PROPERTIES

• Acid pKa: 14.956663
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8563783
• LogD (pH = 7.4): 2.8563786
• Log P: 2.8563786
• Molar Refractivity: 93.0317 cm^3
• Polarizability: 36.602108 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds