ethyl 2-(4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholin-3-yl)acetate

• ChemBase ID: 713075
• Molecular Formular: C19H25NO5
• Molecular Mass: 347.4055
• Monoisotopic Mass: 347.17327291
• SMILES: C(=O)(N1C(CC(=O)OCC)COCC1)c1c(OCC(=C)C)cccc1
• Canonical SMILES: CCOC(=O)CC1COCCN1C(=O)c1ccccc1OCC(=C)C
• InChI: InChI=1S/C19H25NO5/c1-4-24-18(21)11-15-13-23-10-9-20(15)19(22)16-7-5-6-8-17(16)25-12-14(2)3/h5-8,15H,2,4,9-13H2,1,3H3
• InChIKey: DVZMEVUMFDBWDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholin-3-yl)acetate
• IUPAC Traditional name: ethyl 2-(4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholin-3-yl)acetate
• Synonyms: ethyl (4-{2-[(2-methylprop-2-en-1-yl)oxy]benzoyl}morpholin-3-yl)acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1471426
• LogD (pH = 7.4): 2.1471426
• Log P: 2.1471426
• Molar Refractivity: 93.8841 cm^3
• Polarizability: 36.448093 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.15
• LOG S: -4.43
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8