N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

• ChemBase ID: 815334
• Molecular Formular: C19H28BNO4
• Molecular Mass: 345.24092
• Monoisotopic Mass: 345.21113878
• SMILES: c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)N(C1CCOCC1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C1CCOCC1
• InChI: InChI=1S/C19H28BNO4/c1-18(2)19(3,4)25-20(24-18)15-8-6-14(7-9-15)17(22)21(5)16-10-12-23-13-11-16/h6-9,16H,10-13H2,1-5H3
• InChIKey: UYCKQSPGENEGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• IUPAC Traditional name: N-methyl-N-(oxan-4-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Synonyms: N-methyl-N-(tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Database IDs

• CAS Number: NONE

CALCULATED PROPERTIES

• Log P: 2.8767
• Molar Refractivity: 93.0604 cm^3
• Polarizability: 37.84459 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8767
• LogD (pH = 7.4): 2.8767

PROPERTIES

Product Information

• Purity: 98%