Home Structure CARBETAMIDE

Structure of CARBETAMIDE (C12H16N2O3)

Identification of CARBETAMIDE Chemical Compound

2D chemical structure image of CARBETAMIDE
Chemical Formula C12H16N2O3
Molecular Weight 236.26704 g/mol
IUPAC Name (1S)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate
SMILES String CCNC(=O)C(C)OC(=O)Nc1ccccc1
InChI InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKey AMRQXHFXNZFDCH-VIFPVBQESA-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 CARBETAMIDE molecule contains a total of 33 bond(s) There are 17 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic) and 1 (thio-) carbamate(s) (aromatic).
Images of the chemical structure of CARBETAMIDE are given below:

2D chemical structure image of CARBETAMIDE
2-dimensional (2D) chemical structure image of CARBETAMIDE
3D chemical structure image of CARBETAMIDE
3-dimensional (3D) chemical structure image of CARBETAMIDE

The 2D chemical structure image of CARBETAMIDE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of CARBETAMIDE 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 CARBETAMIDE 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 CARBETAMIDE.


An Interactive 3-dimensional (3D) Visualization of CARBETAMIDE

For a better understanding of the chemical structure, an interactive 3D visualization of CARBETAMIDE is provided here.

The CARBETAMIDE 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 CARBETAMIDE 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 CARBETAMIDE 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 a image file.





More Properties of CARBETAMIDE

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying CARBETAMIDE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of CARBETAMIDE

    The SMILES string of CARBETAMIDE is CCNC(=O)C(C)OC(=O)Nc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CARBETAMIDE.

  • Structure Data File (SDF/MOL File) of CARBETAMIDE

    The structure data file (SDF/MOL File) of CARBETAMIDE is available for download in the SDF page of CARBETAMIDE, which provides the information about the atoms, bonds, connectivity and coordinates of CARBETAMIDE. The CARBETAMIDE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of CARBETAMIDE

    The molecular formula of CARBETAMIDE is available in chemical formula page of CARBETAMIDE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of CARBETAMIDE

    The molecular weight of CARBETAMIDE is available in molecular weight page of CARBETAMIDE, 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 CARBETAMIDE

    The CARBETAMIDE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of CARBETAMIDE including the various registry numbers, if available:

    • PROPANAMIDE,N-ETHYL-2-[[(PHENYLAMINO)CARBONYL]OXY]-, (2R)-
    • [(2S)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate
    • (2R)-(-)-1-(Ethylamino)-1-oxoprop-2-yl phenylcarbamate
    • (2S)-1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate
    • 16118-49-3
    • CARBETAMIDE

Additional Outstanding Products

CARBETAMIDE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CARBETAMIDE?
C12H16N2O3
How many atoms and what are the elements included the CARBETAMIDE molecule?
33 atom(s) - 16 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s) and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the CARBETAMIDE structure?
33 bond(s) - 17 non-H bond(s), 8 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic) and 1 (thio-) carbamate(s) (aromatic)
What’s the CARBETAMIDE’s molecular weight?
236.26704 g/mol
What’s the SMILES code of CARBETAMIDE?
CCNC(=O)C(C)OC(=O)Nc1ccccc1
What’s the InChI string of CARBETAMIDE?
InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
What’s the InChIKey code of CARBETAMIDE?
AMRQXHFXNZFDCH-VIFPVBQESA-N

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