2-ethyl-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]butanamide

• ChemBase ID: 210019
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: [nH]1c2c(c(c1)CCNC(=O)C(CC)CC)ccc(c2)OC
• Canonical SMILES: CCC(C(=O)NCCc1c[nH]c2c1ccc(c2)OC)CC
• InChI: InChI=1S/C17H24N2O2/c1-4-12(5-2)17(20)18-9-8-13-11-19-16-10-14(21-3)6-7-15(13)16/h6-7,10-12,19H,4-5,8-9H2,1-3H3,(H,18,20)
• InChIKey: YEXNAHXHHYVUGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]butanamide
• IUPAC Traditional name: 2-ethyl-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]butanamide

Database IDs

• PubChem SID: 164265929
• PubChem CID: 1789329

CALCULATED PROPERTIES

• Acid pKa: 15.719278
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2802713
• LogD (pH = 7.4): 3.2802722
• Log P: 3.2802722
• Molar Refractivity: 84.6833 cm^3
• Polarizability: 34.0053 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds