N-[2-(1H-indol-3-yl)ethyl]hexadecanamide

• ChemBase ID: 182907
• Molecular Formular: C26H42N2O
• Molecular Mass: 398.62448
• Monoisotopic Mass: 398.32971397
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C26H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(29)27-21-20-23-22-28-25-18-16-15-17-24(23)25/h15-18,22,28H,2-14,19-21H2,1H3,(H,27,29)
• InChIKey: YZWBXGMMZOEBAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238817
• PubChem CID: 3726592

CALCULATED PROPERTIES

• Acid pKa: 15.9035425
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 7.7852116
• LogD (pH = 7.4): 7.7852125
• Log P: 7.7852125
• Molar Refractivity: 124.2566 cm^3
• Polarizability: 49.98906 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds