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

• ChemBase ID: 217724
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)C(C)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(C)C)c[nH]2
• InChI: InChI=1S/C15H20N2O2/c1-10(2)15(18)16-7-6-11-9-17-14-5-4-12(19-3)8-13(11)14/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)
• InChIKey: YLBCWMAOAXFOHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273634
• PubChem CID: 6455231

CALCULATED PROPERTIES

• Acid pKa: 15.799064
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3911345
• LogD (pH = 7.4): 2.391135
• Log P: 2.391135
• Molar Refractivity: 75.4813 cm^3
• Polarizability: 30.31488 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds