methyl 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoate

• ChemBase ID: 370149
• Molecular Formular: C17H23NO4
• Molecular Mass: 305.36882
• Monoisotopic Mass: 305.16270822
• SMILES: N1(C(=O)CCC(=O)OC)CC(OCC1)CCc1ccccc1
• Canonical SMILES: COC(=O)CCC(=O)N1CCOC(C1)CCc1ccccc1
• InChI: InChI=1S/C17H23NO4/c1-21-17(20)10-9-16(19)18-11-12-22-15(13-18)8-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
• InChIKey: LLHASICZJHYGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoate
• IUPAC Traditional name: methyl 4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoate
• Synonyms: methyl 4-oxo-4-[2-(2-phenylethyl)-4-morpholinyl]butanoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6867901
• LogD (pH = 7.4): 1.6867902
• Log P: 1.6867902
• Molar Refractivity: 82.635 cm^3
• Polarizability: 32.459686 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.45
• LOG S: -2.81
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6