2-[4-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)morpholin-3-yl]-N,N-dimethylacetamide

• ChemBase ID: 564928
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: C(C(=O)N(C)C)C1N(Cc2ccc(cc2)OCCn2cncc2)CCOC1
• Canonical SMILES: O=C(N(C)C)CC1COCCN1Cc1ccc(cc1)OCCn1cncc1
• InChI: InChI=1S/C20H28N4O3/c1-22(2)20(25)13-18-15-26-11-10-24(18)14-17-3-5-19(6-4-17)27-12-9-23-8-7-21-16-23/h3-8,16,18H,9-15H2,1-2H3
• InChIKey: FDCYFKDORGLWHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)morpholin-3-yl]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[4-({4-[2-(imidazol-1-yl)ethoxy]phenyl}methyl)morpholin-3-yl]-N,N-dimethylacetamide
• Synonyms: 2-(4-{4-[2-(1H-imidazol-1-yl)ethoxy]benzyl}-3-morpholinyl)-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1891432
• LogD (pH = 7.4): 0.64584005
• Log P: 0.86057043
• Molar Refractivity: 104.1487 cm^3
• Polarizability: 40.290424 Å^3
• Polar Surface Area: 59.83 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: -0.05
• LOG S: -3.18
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 8