Home SDF/Mol File N-tert-Butylacetamide

SDF/Mol File 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-tert-Butylacetamide is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-tert-Butylacetamide molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

Additional Information for Identifying N-tert-Butylacetamide Molecule

  • Chemical structure of N-tert-Butylacetamide

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of N-tert-Butylacetamide

    The chemical formula of N-tert-Butylacetamide is given in chemical formula page of N-tert-Butylacetamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-tert-Butylacetamide including the registry numbers are listed 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
    • BBV-38354141

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

What’s the N-tert-Butylacetamide formula?
C6H13NO
How many atoms and what elements are included in the N-tert-Butylacetamide molecule?
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 kind of bonds are 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 N-tert-Butylacetamide’s molar mass?
115.17352 g/mol
What’s the SMILES structure of N-tert-Butylacetamide?
CC(=O)NC(C)(C)C
What’s the InChI code of N-tert-Butylacetamide?
InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
What’s the InChIKey format of N-tert-Butylacetamide?
ACYFWRHALJTSCF-UHFFFAOYSA-N

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