Home Chemical Formula N-tert-Butylacetamide

Chemical Formula of N-tert-Butylacetamide (C6H13NO)

Identification of N-tert-Butylacetamide Chemical Compound

2D chemical structure image of N-tert-Butylacetamide
Chemical Formula C6H13NO
Molecular Weight 115.17352 g/mol
IUPAC Name N-tert-butylacetamide
SMILES String CC(=O)NC(C)(C)C
InChI InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
InChIKey ACYFWRHALJTSCF-UHFFFAOYSA-N

Chemical Formula Description

The N-tert-Butylacetamide molecule contains a total of 21 atom(s). There are 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s). A chemical formula of N-tert-Butylacetamide can therefore be written as:

C6H13NO

The chemical formula of N-tert-Butylacetamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of N-tert-Butylacetamide
Ball-and-stick model of N-tert-Butylacetamide

Additional Information for Identifying N-tert-Butylacetamide Molecule

  • Structure Data File (SDF) of N-tert-Butylacetamide

    The structure data file (SDF) of N-tert-Butylacetamide is available for download in the SDF page of N-tert-Butylacetamide providing the information about the atoms, bonds, connectivity and coordinates of N-tert-Butylacetamide, which is not completely available in the chemical formula representation. The N-tert-Butylacetamide structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of N-tert-Butylacetamide

    The chemical structure image of N-tert-Butylacetamide is available in chemical structure page of N-tert-Butylacetamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of N-tert-Butylacetamide and the chemical bonds that hold the atoms together.

  • Molecular weight of N-tert-Butylacetamide

    The molecular weight of N-tert-Butylacetamide is available in molecular weight page of N-tert-Butylacetamide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of N-tert-Butylacetamide.

  • InChI (IUPAC International Chemical Identifier) information of N-tert-Butylacetamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of N-tert-Butylacetamide is:

    InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)

    It can provide a standard way to encode the molecular information of N-tert-Butylacetamide to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-tert-Butylacetamide is:

    InChIKey=ACYFWRHALJTSCF-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N-tert-Butylacetamide, but it needs to be linked to the full InChI to get back to the original structure of the N-tert-Butylacetamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of N-tert-Butylacetamide

    The N-tert-Butylacetamide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of N-tert-Butylacetamide including the registry numbers is given below, if available:

    • N-tert-Butylacetamide
    • 762-84-5
    • N-(tert-Butyl)acetamide
    • tert-Butylacetamide
    • CH3C(O)NHC(CH3)3
    • Acetamide,N-(1,1-dimethylethyl)-
    • Acetamide, N-(1,1-dimethylethyl)-
    • N-t-Butylacetamide
    • MFCD00038244

N-tert-Butylacetamide Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of N-tert-Butylacetamide?

    C6H13NO
  • How many atoms and what are they in the N-tert-Butylacetamide structure?

    21 atom(s) – 13 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what are they in the N-tert-Butylacetamide structure?

    20 bond(s) – 7 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s) and 1 secondary amide(s) (aliphatic)
  • What’s the molecular weight of N-tert-Butylacetamide?

    115.17352 g/mol
  • What’s the SMILES string of N-tert-Butylacetamide?

    CC(=O)NC(C)(C)C
  • What’s the InChI of N-tert-Butylacetamide?

    InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
  • What’s the InChIKey of N-tert-Butylacetamide?

    ACYFWRHALJTSCF-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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