N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 51617
• Molecular Formular: C19H34N2O2Si
• Molecular Mass: 350.57096
• Monoisotopic Mass: 350.23895487
• SMILES: c1cnc(c(c1)CCCO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ncccc1CCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H34N2O2Si/c1-18(2,3)17(22)21-16-15(11-9-13-20-16)12-10-14-23-24(7,8)19(4,5)6/h9,11,13H,10,12,14H2,1-8H3,(H,20,21,22)
• InChIKey: MYQUECVILKJYDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)pyridin-2-yl)pivalamide; N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)-pyridin-2-yl)pivalamide; N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)pyridin-2-yl)pivalamide

Database IDs

• CAS Number: 1228665-70-0
• MDL Number: MFCD15530289
• PubChem SID: 162056380
• PubChem CID: 46318153

CALCULATED PROPERTIES

• Acid pKa: 12.022979
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.2504954
• LogD (pH = 7.4): 5.290158
• Log P: 5.2907
• Molar Refractivity: 98.8 cm^3
• Polarizability: 39.957973 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C19H34N2O2Si

DETAILS

Sigma Aldrich - ADE000806

Other Notes
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