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Structure & Deep Data of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide (C18H18N2O4)

Identification of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide Chemical Compound

2D chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
Chemical Formula C18H18N2O4
Molecular Weight 326.34652 g/mol
IUPAC Name 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
SMILES String Cc3ccc(OCC(=O)Nc1cccc2NC(=O)COc12)cc3C
InChI InChI=1S/C18H18N2O4/c1-11-6-7-13(8-12(11)2)23-9-16(21)19-14-4-3-5-15-18(14)24-10-17(22)20-15/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey DSLZJAKSSJGZAZ-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide molecule contains a total of 44 bond(s). There are 26 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 2 ether(s) (aromatic). Images of the chemical structure of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide are given below:

2D chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
2-dimensional (2D) chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
3D chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
3-dimensional (3D) chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide

The 2D chemical structure image of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide 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 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide 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 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide is provided here.

The 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide Molecule

  • Other names (synonyms) or registry numbers of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide

    The 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide including the various registry numbers, if available:



    None available.


2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
C18H18N2O4
How many atoms and what are the elements included the 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide molecule?
42 atom(s) - 18 Hydrogen atom(s), 18 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide structure?
44 bond(s) - 26 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 2 secondary amide(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide’s molecular weight?
326.34652 g/mol
What’s the SMILES code of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
Cc3ccc(OCC(=O)Nc1cccc2NC(=O)COc12)cc3C
What’s the InChI string of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
InChI=1S/C18H18N2O4/c1-11-6-7-13(8-12(11)2)23-9-16(21)19-14-4-3-5-15-18(14)24-10-17(22)20-15/h3-8H,9-10H2,1-2H3,(H,19,21)(H,20,22)
What’s the InChIKey code of 2-(3,4-dimethylphenoxy)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
DSLZJAKSSJGZAZ-UHFFFAOYSA-N

42 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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