N-[2-methoxy-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide

• ChemBase ID: 33011
• Molecular Formular: C14H24N2O2Si
• Molecular Mass: 280.43806
• Monoisotopic Mass: 280.16070455
• SMILES: c1cnc(c(c1[Si](C)(C)C)NC(=O)C(C)(C)C)OC
• Canonical SMILES: COc1nccc(c1NC(=O)C(C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C14H24N2O2Si/c1-14(2,3)13(17)16-11-10(19(5,6)7)8-9-15-12(11)18-4/h8-9H,1-7H3,(H,16,17)
• InChIKey: BOCMURIOZJRFDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide
• IUPAC Traditional name: N-[2-methoxy-4-(trimethylsilyl)pyridin-3-yl]-2,2-dimethylpropanamide
• Synonyms: N-(2-Methoxy-4-(trimethylsilyl)pyridin-3-yl)pivalamide; N-(2-Methoxy-4-(trimethylsilyl)pyridin-3-yl)pivalamide; N-(2-Methoxy-4-(trimethylsilyl)pyridin-3-yl)-pivalamide

Database IDs

• MDL Number: MFCD12026761
• PubChem SID: 160996318
• PubChem CID: 46736879

CALCULATED PROPERTIES

• Acid pKa: 11.415635
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9460795
• LogD (pH = 7.4): 3.946355
• Log P: 3.9464
• Molar Refractivity: 75.3068 cm^3
• Polarizability: 30.815872 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C14H24N2O2Si

DETAILS

Sigma Aldrich - ADE000623

Other Notes
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