N-(4-hydroxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide

• ChemBase ID: 223298
• Molecular Formular: C18H17N3O3
• Molecular Mass: 323.34588
• Monoisotopic Mass: 323.12699142
• SMILES: C(=O)(C(=O)NCCc1c[nH]c2c1cccc2)Nc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)NC(=O)C(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H17N3O3/c22-14-7-5-13(6-8-14)21-18(24)17(23)19-10-9-12-11-20-16-4-2-1-3-15(12)16/h1-8,11,20,22H,9-10H2,(H,19,23)(H,21,24)
• InChIKey: DIFJZWGWOOYDDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide

Database IDs

• PubChem SID: 164279208
• PubChem CID: 44902824

CALCULATED PROPERTIES

• Acid pKa: 9.370498
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 2.3955567
• LogD (pH = 7.4): 2.39102
• Log P: 2.3956149
• Molar Refractivity: 91.8698 cm^3
• Polarizability: 35.49434 Å^3
• Polar Surface Area: 94.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds