Download Structure Data File(SDF/Mol File) of N-Ethylpropionamide (C5H11NO)

Identification of N-Ethylpropionamide Chemical Compound

2D chemical structure image of N-Ethylpropionamide
Chemical Formula C5H11NO
Molecular Weight 101.14694 g/mol
IUPAC Name N-ethylpropanamide
SMILES String CCNC(=O)CC
InChI InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKey ABMDIECEEGFXNC-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-Ethylpropionamide 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-Ethylpropionamide 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-Ethylpropionamide
Ball-and-stick model of N-Ethylpropionamide

Additional Information for Identifying N-Ethylpropionamide Molecule

  • Chemical structure of N-Ethylpropionamide

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-Ethylpropionamide is available in chemical structure page of N-Ethylpropionamide, 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-Ethylpropionamide

    The molecular weight of N-Ethylpropionamide is available in molecular weight page of N-Ethylpropionamide, 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-Ethylpropionamide

    The chemical formula of N-Ethylpropionamide is given in chemical formula page of N-Ethylpropionamide, 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-Ethylpropionamide

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-Ethylpropionamide is:

    InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)

    It can provide a standard way to encode the molecular information of N-Ethylpropionamide 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-Ethylpropionamide is:

    InChIKey=ABMDIECEEGFXNC-UHFFFAOYSA-N

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

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

    The N-Ethylpropionamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-Ethylpropionamide including the registry numbers are listed below, if available:

    • N-Ethylpropionamide
    • N-Ethylpropanamide
    • 5129-72-6
    • Propanamide, N-ethyl-
    • Propionamide, N-ethyl-
    • N-Propionylethylamine
    • N-Ethylpropanamide #
    • N-ethylpropionic acid amide
    • ANW-31226
    • MFCD00059388
    • E0328
    • I14-106770
    • BBV-38423467
    • C-46574

N-Ethylpropionamide Identification Summary Frequently Asked Questions (FAQs)

  • What’s the N-Ethylpropionamide formula?

    C5H11NO
  • How many atoms and what elements are included in the N-Ethylpropionamide molecule?

    18 atom(s) – 11 Hydrogen atom(s), 5 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-Ethylpropionamide structure?

    17 bond(s) – 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s) and 1 secondary amide(s) (aliphatic)
  • What’s the N-Ethylpropionamide’s molar mass?

    101.14694 g/mol
  • What’s the SMILES structure of N-Ethylpropionamide?

    CCNC(=O)CC
  • What’s the InChI code of N-Ethylpropionamide?

    InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)
  • What’s the InChIKey format of N-Ethylpropionamide?

    ABMDIECEEGFXNC-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.