5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylfuran-2-carboxamide

• ChemBase ID: 339549
• Molecular Formular: C15H15NO4
• Molecular Mass: 273.2839
• Monoisotopic Mass: 273.10010797
• SMILES: c1(oc(cc1)c1cc2c(OCCO2)cc1)C(=O)N(C)C
• Canonical SMILES: O=C(c1ccc(o1)c1ccc2c(c1)OCCO2)N(C)C
• InChI: InChI=1S/C15H15NO4/c1-16(2)15(17)13-6-5-11(20-13)10-3-4-12-14(9-10)19-8-7-18-12/h3-6,9H,7-8H2,1-2H3
• InChIKey: XGCSTWMVMZWHHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylfuran-2-carboxamide
• IUPAC Traditional name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4118439
• LogD (pH = 7.4): 1.4118439
• Log P: 1.4118439
• Molar Refractivity: 73.2918 cm^3
• Polarizability: 28.975777 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.83
• LOG S: -2.76
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 2