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

• ChemBase ID: 220756
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H19N3O2/c23-18(12-14-6-2-1-3-7-14)20-10-11-21-19(24)16-13-22-17-9-5-4-8-15(16)17/h1-9,13,22H,10-12H2,(H,20,23)(H,21,24)
• InChIKey: UCIJWVACZMGDHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276666
• PubChem CID: 42506803

CALCULATED PROPERTIES

• Acid pKa: 12.416586
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.0025268
• LogD (pH = 7.4): 2.0025227
• Log P: 2.0025268
• Molar Refractivity: 93.2351 cm^3
• Polarizability: 36.548965 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds