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SDF/Mol File of N-(2-morpholin-4-ylethyl)pentanamide (C11H22N2O2)

Identification of N-(2-morpholin-4-ylethyl)pentanamide Chemical Compound

2D chemical structure image of N-(2-morpholin-4-ylethyl)pentanamide
Chemical Formula C11H22N2O2
Molecular Weight 214.30458 g/mol
IUPAC Name N-[2-(morpholin-4-yl)ethyl]pentanamide
SMILES String CCCCC(=O)NCCN1CCOCC1
InChI InChI=1S/C11H22N2O2/c1-2-3-4-11(14)12-5-6-13-7-9-15-10-8-13/h2-10H2,1H3,(H,12,14)
InChIKey WHIMLDBJPDWPFO-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-(2-morpholin-4-ylethyl)pentanamide 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-(2-morpholin-4-ylethyl)pentanamide 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.

3D chemical structure image of N-(2-morpholin-4-ylethyl)pentanamide
Ball-and-stick model of N-(2-morpholin-4-ylethyl)pentanamide

chemical table area

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying N-(2-morpholin-4-ylethyl)pentanamide Molecule

  • Chemical structure of N-(2-morpholin-4-ylethyl)pentanamide

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-(2-morpholin-4-ylethyl)pentanamide is available in chemical structure page of N-(2-morpholin-4-ylethyl)pentanamide, 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-(2-morpholin-4-ylethyl)pentanamide

    The molecular weight of N-(2-morpholin-4-ylethyl)pentanamide is available in molecular weight page of N-(2-morpholin-4-ylethyl)pentanamide, 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-(2-morpholin-4-ylethyl)pentanamide

    The chemical formula of N-(2-morpholin-4-ylethyl)pentanamide is given in chemical formula page of N-(2-morpholin-4-ylethyl)pentanamide, 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-(2-morpholin-4-ylethyl)pentanamide

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-(2-morpholin-4-ylethyl)pentanamide is:

    InChI=1S/C11H22N2O2/c1-2-3-4-11(14)12-5-6-13-7-9-15-10-8-13/h2-10H2,1H3,(H,12,14)

    It can provide a standard way to encode the molecular information of N-(2-morpholin-4-ylethyl)pentanamide 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-(2-morpholin-4-ylethyl)pentanamide is:

    InChIKey=WHIMLDBJPDWPFO-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for N-(2-morpholin-4-ylethyl)pentanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-(2-morpholin-4-ylethyl)pentanamide since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of N-(2-morpholin-4-ylethyl)pentanamide

    The N-(2-morpholin-4-ylethyl)pentanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-(2-morpholin-4-ylethyl)pentanamide including the registry numbers are listed below, if available:

    • N-(2-morpholin-4-ylethyl)pentanamide

N-(2-morpholin-4-ylethyl)pentanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-(2-morpholin-4-ylethyl)pentanamide formula?
C11H22N2O2
How many atoms and what elements are included in the N-(2-morpholin-4-ylethyl)pentanamide molecule?
37 atom(s) - 22 Hydrogen atom(s), 11 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the N-(2-morpholin-4-ylethyl)pentanamide structure?
37 bond(s) - 15 non-H bond(s), 1 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), and 1 ether(s) (aliphatic)
What’s the N-(2-morpholin-4-ylethyl)pentanamide’s molar mass?
214.30458 g/mol
What’s the SMILES structure of N-(2-morpholin-4-ylethyl)pentanamide?
CCCCC(=O)NCCN1CCOCC1
What’s the InChI code of N-(2-morpholin-4-ylethyl)pentanamide?
InChI=1S/C11H22N2O2/c1-2-3-4-11(14)12-5-6-13-7-9-15-10-8-13/h2-10H2,1H3,(H,12,14)
What’s the InChIKey format of N-(2-morpholin-4-ylethyl)pentanamide?
WHIMLDBJPDWPFO-UHFFFAOYSA-N

46 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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