N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(2-methyl-1H-indol-3-yl)acetamide

• ChemBase ID: 362196
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 302.16304257
• SMILES: c1(c([nH]c2c1cccc2)C)CC(=O)N[C@@H]1[C@H](COC1)OCC
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC(=O)Cc1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C17H22N2O3/c1-3-22-16-10-21-9-15(16)19-17(20)8-13-11(2)18-14-7-5-4-6-12(13)14/h4-7,15-16,18H,3,8-10H2,1-2H3,(H,19,20)/t15-,16-/m0/s1
• InChIKey: APLWHHPSWVLWGA-HOTGVXAUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-2-(2-methyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.546508
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.536917
• LogD (pH = 7.4): 1.5369167
• Log P: 1.536917
• Molar Refractivity: 84.5277 cm^3
• Polarizability: 33.88408 Å^3
• Polar Surface Area: 63.35 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 2
• Log P: 0.88
• LOG S: -2.16
• Polar Surface Area: 63.35 Å^2