2-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-ethylmorpholin-2-yl)ethyl]acetamide

• ChemBase ID: 862412
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: c12c(OCO1)ccc(c2)CC(=O)NCCC1OCCN(C1)CC
• Canonical SMILES: CCN1CCOC(C1)CCNC(=O)Cc1ccc2c(c1)OCO2
• InChI: InChI=1S/C17H24N2O4/c1-2-19-7-8-21-14(11-19)5-6-18-17(20)10-13-3-4-15-16(9-13)23-12-22-15/h3-4,9,14H,2,5-8,10-12H2,1H3,(H,18,20)
• InChIKey: YVJSMNXZINVBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-ethylmorpholin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-ethylmorpholin-2-yl)ethyl]acetamide
• Synonyms: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylmorpholin-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.386289
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0307176
• LogD (pH = 7.4): 0.592425
• Log P: 0.92763984
• Molar Refractivity: 86.2292 cm^3
• Polarizability: 33.920494 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.81
• LOG S: -2.23
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6