N-ethyl-N-(oxan-4-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 695393
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)N(C1CCOCC1)CC
• Canonical SMILES: CCN(C(=O)Cc1c(C)[nH]c2c1c(C)ccc2C)C1CCOCC1
• InChI: InChI=1S/C20H28N2O2/c1-5-22(16-8-10-24-11-9-16)18(23)12-17-15(4)21-20-14(3)7-6-13(2)19(17)20/h6-7,16,21H,5,8-12H2,1-4H3
• InChIKey: NGLBWKJFIPXGJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(oxan-4-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-(oxan-4-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-ethyl-N-(tetrahydro-2H-pyran-4-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.964771
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8945634
• LogD (pH = 7.4): 2.8945637
• Log P: 2.8945637
• Molar Refractivity: 98.5239 cm^3
• Polarizability: 38.581276 Å^3
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -4.12
• Polar Surface Area: 45.33 Å^2
• Rotatable Bonds: 4