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

• ChemBase ID: 184189
• Molecular Formular: C20H30N2O
• Molecular Mass: 314.465
• Monoisotopic Mass: 314.23581359
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H30N2O/c1-2-3-4-5-6-7-8-13-20(23)21-15-14-17-16-22-19-12-10-9-11-18(17)19/h9-12,16,22H,2-8,13-15H2,1H3,(H,21,23)
• InChIKey: XUSCYHABPVPGGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240099
• PubChem CID: 588710

CALCULATED PROPERTIES

• Acid pKa: 15.9035425
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 5.1177998
• LogD (pH = 7.4): 5.1178007
• Log P: 5.1178007
• Molar Refractivity: 96.6506 cm^3
• Polarizability: 38.907707 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds