N-(1,4-dioxan-2-ylmethyl)-2,4-dimethoxybenzamide

• ChemBase ID: 718142
• Molecular Formular: C14H19NO5
• Molecular Mass: 281.30436
• Monoisotopic Mass: 281.12632271
• SMILES: c1(C(=O)NCC2OCCOC2)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C(=O)NCC1COCCO1
• InChI: InChI=1S/C14H19NO5/c1-17-10-3-4-12(13(7-10)18-2)14(16)15-8-11-9-19-5-6-20-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,15,16)
• InChIKey: LVULSOQVIPHMEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-2,4-dimethoxybenzamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-2,4-dimethoxybenzamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-2,4-dimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.210803
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.52651066
• LogD (pH = 7.4): 0.5265107
• Log P: 0.5265108
• Molar Refractivity: 72.7477 cm^3
• Polarizability: 28.127756 Å^3
• Polar Surface Area: 66.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.43
• LOG S: -1.62
• Polar Surface Area: 66.02 Å^2
• Rotatable Bonds: 5