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

• ChemBase ID: 220826
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H19N3O3/c1-25-14-6-4-5-13(11-14)18(23)20-9-10-21-19(24)16-12-22-17-8-3-2-7-15(16)17/h2-8,11-12,22H,9-10H2,1H3,(H,20,23)(H,21,24)
• InChIKey: XFWISBJPZMLFKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276736
• PubChem CID: 42506891

CALCULATED PROPERTIES

• Acid pKa: 12.413916
• 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: 36.99463 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