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

• ChemBase ID: 182844
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: [nH]1cc(c2c1cccc2)CCNC(=O)CCCC
• Canonical SMILES: CCCCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C15H20N2O/c1-2-3-8-15(18)16-10-9-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)
• InChIKey: RPAVTHDZANYLNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238754
• PubChem CID: 588712

CALCULATED PROPERTIES

• Acid pKa: 15.920372
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.8949564
• LogD (pH = 7.4): 2.8949573
• Log P: 2.8949573
• Molar Refractivity: 73.6456 cm^3
• Polarizability: 29.67374 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds