N-[2-(1H-indol-3-ylformamido)ethyl]-4-methoxybenzamide

• ChemBase ID: 220691
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H19N3O3/c1-25-14-8-6-13(7-9-14)18(23)20-10-11-21-19(24)16-12-22-17-5-3-2-4-15(16)17/h2-9,12,22H,10-11H2,1H3,(H,20,23)(H,21,24)
• InChIKey: ANYYWLIOLSSFMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-ylformamido)ethyl]-4-methoxybenzamide
• IUPAC Traditional name: N-[2-(1H-indol-3-ylformamido)ethyl]-4-methoxybenzamide

Database IDs

• PubChem SID: 164276601
• PubChem CID: 42506710

CALCULATED PROPERTIES

• Acid pKa: 12.415818
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8646898
• LogD (pH = 7.4): 1.8646861
• Log P: 1.8646902
• Molar Refractivity: 95.6469 cm^3
• Polarizability: 36.994003 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds