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

• ChemBase ID: 226290
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: [nH]1c2c(c(c1)CCNC(=O)C(CCC)CCC)ccc(c2)OC
• Canonical SMILES: CCCC(C(=O)NCCc1c[nH]c2c1ccc(c2)OC)CCC
• InChI: InChI=1S/C19H28N2O2/c1-4-6-14(7-5-2)19(22)20-11-10-15-13-21-18-12-16(23-3)8-9-17(15)18/h8-9,12-14,21H,4-7,10-11H2,1-3H3,(H,20,22)
• InChIKey: XFOIOLGFEYYALI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282200
• PubChem CID: 1781518

CALCULATED PROPERTIES

• Acid pKa: 15.756906
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.1694055
• LogD (pH = 7.4): 4.1694098
• Log P: 4.1694098
• Molar Refractivity: 93.8853 cm^3
• Polarizability: 37.696693 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds