2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide

• ChemBase ID: 651228
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: N1(C(CC(=O)N(CCC)C)COCC1)C(=O)COc1c(OC)cccc1
• Canonical SMILES: CCCN(C(=O)CC1COCCN1C(=O)COc1ccccc1OC)C
• InChI: InChI=1S/C19H28N2O5/c1-4-9-20(2)18(22)12-15-13-25-11-10-21(15)19(23)14-26-17-8-6-5-7-16(17)24-3/h5-8,15H,4,9-14H2,1-3H3
• InChIKey: FOQFGQXPQKPSSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide
• IUPAC Traditional name: 2-{4-[2-(2-methoxyphenoxy)acetyl]morpholin-3-yl}-N-methyl-N-propylacetamide
• Synonyms: 2-{4-[(2-methoxyphenoxy)acetyl]-3-morpholinyl}-N-methyl-N-propylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.503916
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.85229856
• LogD (pH = 7.4): 0.8522986
• Log P: 0.8522986
• Molar Refractivity: 97.1015 cm^3
• Polarizability: 38.040676 Å^3
• Polar Surface Area: 68.31 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: 1.14
• LOG S: -2.83
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8