N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide

• ChemBase ID: 182523
• Molecular Formular: C23H36N2O2
• Molecular Mass: 372.54414
• Monoisotopic Mass: 372.2776784
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C23H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-23(26)24-16-15-19-18-25-22-14-13-20(27-2)17-21(19)22/h13-14,17-18,25H,3-12,15-16H2,1-2H3,(H,24,26)
• InChIKey: VPNGRVQPGRYYGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide

Database IDs

• PubChem SID: 164238433
• PubChem CID: 599490

CALCULATED PROPERTIES

• Acid pKa: 15.8913355
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.849266
• LogD (pH = 7.4): 5.8492665
• Log P: 5.8492665
• Molar Refractivity: 112.3158 cm^3
• Polarizability: 45.081112 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds