N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide

• ChemBase ID: 44954
• Molecular Formular: C19H30N2O3Si
• Molecular Mass: 362.5386
• Monoisotopic Mass: 362.20256936
• SMILES: c1cnc2c(c1NC(=O)C(C)(C)C)oc(c2)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccnc2c1oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C19H30N2O3Si/c1-18(2,3)17(22)21-14-9-10-20-15-11-13(24-16(14)15)12-23-25(7,8)19(4,5)6/h9-11H,12H2,1-8H3,(H,20,21,22)
• InChIKey: LZUUGADYQQZQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-7-yl)-2,2-dimethylpropanamide
• Synonyms: N-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-7-yl)pivalamide; N-(2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-7-yl)pivalamide; N-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-7-yl)pivalamide

Database IDs

• CAS Number: 1171920-37-8
• MDL Number: MFCD12401661
• PubChem SID: 162049717
• PubChem CID: 46737919

CALCULATED PROPERTIES

• Acid pKa: 11.572396
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.3796973
• LogD (pH = 7.4): 4.386089
• Log P: 4.3862
• Molar Refractivity: 97.4771 cm^3
• Polarizability: 40.733814 Å^3
• Polar Surface Area: 64.36 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): C19H30N2O3Si

DETAILS

Sigma Aldrich - ADE001157

Other Notes
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