Structure & Deep Data of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester (C22H41NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester molecule contains a total of 67 bond(s). There are 26 non-H bond(s), 3 multiple bond(s), 20 rotatable bond(s), 3 double bond(s), 1 ester(s) (aliphatic), 1 secondary amide(s) (aliphatic), and 1 ketone(s) (aliphatic). Images of the chemical structure of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester are given below:

The 2D chemical structure image of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

  The SMILES string of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester.

• Structure Data File (SDF/MOL File) of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

  The structure data file (SDF/MOL File) of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is available for download in the SDF page of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester. The Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

  The molecular formula of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is available in chemical formula page of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

  The molecular weight of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester is available in molecular weight page of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester

  The Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester including the various registry numbers, if available:

  • 8782Z45DLV
  • AX 048
  • Butanoic acid, 4-[(1,2-dioxohexadecyl)amino]-, ethyl ester
  • Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester
  • 873079-69-7

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Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester?
C22H41NO4
How many atoms and what are the elements included the Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester molecule?
68 atom(s) - 41 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester structure?
67 bond(s) - 26 non-H bond(s), 3 multiple bond(s), 20 rotatable bond(s), 3 double bond(s), 1 ester(s) (aliphatic), 1 secondary amide(s) (aliphatic), and 1 ketone(s) (aliphatic)
What’s the Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester’s molecular weight?
383.56524 g/mol
What’s the SMILES code of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester?
CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)OCC
What’s the InChI string of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester?
InChI=1S/C22H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(24)22(26)23-19-16-18-21(25)27-4-2/h3-19H2,1-2H3,(H,23,26)
What’s the InChIKey code of Butanoic acid, 4-((1,2-dioxohexadecyl)amino)-, ethyl ester?
FMFKQXKYWWJNJS-UHFFFAOYSA-N

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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).