N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 15491
• Molecular Formular: C17H30N2O2Si
• Molecular Mass: 322.5178
• Monoisotopic Mass: 322.20765474
• SMILES: c1cnc(cc1CO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1nccc(c1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C17H30N2O2Si/c1-16(2,3)15(20)19-14-11-13(9-10-18-14)12-21-22(7,8)17(4,5)6/h9-11H,12H2,1-8H3,(H,18,19,20)
• InChIKey: YYGCOZPKRPLSPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide; N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide

Database IDs

• CAS Number: 618107-92-9
• MDL Number: MFCD06411045
• PubChem SID: 160978798
• PubChem CID: 4233042

CALCULATED PROPERTIES

• Acid pKa: 11.969019
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.6315036
• LogD (pH = 7.4): 4.642545
• Log P: 4.6427
• Molar Refractivity: 89.444 cm^3
• Polarizability: 36.344933 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C17H30N2O2Si

DETAILS

Sigma Aldrich - ADE000279

Other Notes
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