N,N'-bis[(2S)-1-[(tert-butyldimethylsilyl)oxy]butan-2-yl]ethanediamide

• ChemBase ID: 163381
• Molecular Formular: C22H48N2O4Si2
• Molecular Mass: 460.79852
• Monoisotopic Mass: 460.31526109
• SMILES: CC[C@H](NC(=O)C(=O)N[C@@H](CC)CO[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C
• Canonical SMILES: CC[C@H](NC(=O)C(=O)N[C@H](CO[Si](C(C)(C)C)(C)C)CC)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C22H48N2O4Si2/c1-13-17(15-27-29(9,10)21(3,4)5)23-19(25)20(26)24-18(14-2)16-28-30(11,12)22(6,7)8/h17-18H,13-16H2,1-12H3,(H,23,25)(H,24,26)/t17-,18-/m0/s1
• InChIKey: OGCNVHFVKJLKGM-ROUUACIJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-bis[(2S)-1-[(tert-butyldimethylsilyl)oxy]butan-2-yl]ethanediamide
• IUPAC Traditional name: N,N'-bis[(2S)-1-[(tert-butyldimethylsilyl)oxy]butan-2-yl]ethanediamide
• Synonyms: N,N’-Bis[(1S)-1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]propyl]ethanediamide; N,N'-Bis[(S)-1-(tert-Butyldimethylsilyloxymethyl)propyl]ethanediamide

Database IDs

• CAS Number: 909567-52-8
• PubChem SID: 162257516
• PubChem CID: 16079734

CALCULATED PROPERTIES

• Acid pKa: 12.486416
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.5266
• LogD (pH = 7.4): 4.5265965
• Log P: 4.5266
• Molar Refractivity: 118.0428 cm^3
• Polarizability: 50.925785 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMSO; Methanol
• Apperance: Pale Yellow Solid

DETAILS

Toronto Research Chemicals - B691570

Ethambutol intermediate.