Structure & Deep Data of CARBETAMIDE (C12H16N2O3)

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:

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. Download structure data file (SDF/MOL) file of this compound.

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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

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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

65 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).