N-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide

• ChemBase ID: 798070
• Molecular Formular: C11H13NO4
• Molecular Mass: 223.22522
• Monoisotopic Mass: 223.0844579
• SMILES: c12OC(COc1cccc2)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)C1COc2c(O1)cccc2)C
• InChI: InChI=1S/C11H13NO4/c1-12(14-2)11(13)10-7-15-8-5-3-4-6-9(8)16-10/h3-6,10H,7H2,1-2H3
• InChIKey: ZABDVNGSXANXEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
• Synonyms: N-Methoxy-N-methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxamide

Database IDs

• CAS Number: 848170-22-9

CALCULATED PROPERTIES

• Acid pKa: 10.398452
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9678249
• LogD (pH = 7.4): 0.96739507
• Log P: 0.96783036
• Molar Refractivity: 55.8111 cm^3
• Polarizability: 22.114452 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%