N-[3-(dimethylamino)propyl]-2-{4-[2-(furan-2-yl)-2-oxoacetyl]morpholin-3-yl}-N-methylacetamide

• ChemBase ID: 590028
• Molecular Formular: C18H27N3O5
• Molecular Mass: 365.42408
• Monoisotopic Mass: 365.19507098
• SMILES: C(=O)(C(=O)c1occc1)N1C(CC(=O)N(CCCN(C)C)C)COCC1
• Canonical SMILES: CN(CCCN(C(=O)CC1COCCN1C(=O)C(=O)c1ccco1)C)C
• InChI: InChI=1S/C18H27N3O5/c1-19(2)7-5-8-20(3)16(22)12-14-13-25-11-9-21(14)18(24)17(23)15-6-4-10-26-15/h4,6,10,14H,5,7-9,11-13H2,1-3H3
• InChIKey: NJFQYLBFXLJJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2-{4-[2-(furan-2-yl)-2-oxoacetyl]morpholin-3-yl}-N-methylacetamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2-{4-[2-(furan-2-yl)-2-oxoacetyl]morpholin-3-yl}-N-methylacetamide
• Synonyms: N-[3-(dimethylamino)propyl]-2-{4-[2-furyl(oxo)acetyl]-3-morpholinyl}-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.8573053
• LogD (pH = 7.4): -2.425869
• Log P: -0.53357995
• Molar Refractivity: 96.291 cm^3
• Polarizability: 37.014786 Å^3
• Polar Surface Area: 83.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.78
• LOG S: -1.65
• Polar Surface Area: 83.3 Å^2
• Rotatable Bonds: 8