N-tert-butyl-2-[(furan-2-ylmethyl)amino]acetamide

• ChemBase ID: 35475
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: C(=O)(NC(C)(C)C)CNCc1occc1
• Canonical SMILES: O=C(NC(C)(C)C)CNCc1ccco1
• InChI: InChI=1S/C11H18N2O2/c1-11(2,3)13-10(14)8-12-7-9-5-4-6-15-9/h4-6,12H,7-8H2,1-3H3,(H,13,14)
• InChIKey: PLHJFMOBMRODGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-[(furan-2-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-tert-butyl-2-[(furan-2-ylmethyl)amino]acetamide
• Synonyms: N-(tert-Butyl)-2-[(2-furylmethyl)amino]acetamide

Database IDs

• MDL Number: MFCD11108818
• PubChem SID: 160998782
• PubChem CID: 25219690

CALCULATED PROPERTIES

• Acid pKa: 14.984156
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.973455
• LogD (pH = 7.4): 0.3925925
• Log P: 0.5405177
• Molar Refractivity: 58.306 cm^3
• Polarizability: 22.818691 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false