N,N'-di-tert-butylethanediamide

• ChemBase ID: 108630
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: CC(C)(C)NC(=O)C(=O)NC(C)(C)C
• Canonical SMILES: O=C(C(=O)NC(C)(C)C)NC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-9(2,3)11-7(13)8(14)12-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
• InChIKey: ZRPMCQJKUJELGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-di-tert-butylethanediamide
• IUPAC Traditional name: N,N'-di-tert-butylethanediamide
• Synonyms: N,N'-DI-tert-BUTYLOXAMIDE

Database IDs

• PubChem SID: 162106213
• PubChem CID: 277522

CALCULATED PROPERTIES

• Acid pKa: 13.016786
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6776346
• LogD (pH = 7.4): 0.6776337
• Log P: 0.67763466
• Molar Refractivity: 55.4876 cm^3
• Polarizability: 21.578531 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208130

MP Biomedicals Rare Chemical collection