SDF/Mol File of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide (C21H24N2O4)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide Molecule

• Chemical structure of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide is available in chemical structure page of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide

  The molecular weight of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide is available in molecular weight page of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide, 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 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide

  The chemical formula of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide is given in chemical formula page of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide, 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 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide is:

  InChI=1S/C21H24N2O4/c1-23(2)21(25)17-7-4-16(5-8-17)6-13-20(24)22-14-15-27-19-11-9-18(26-3)10-12-19/h4-13H,14-15H2,1-3H3,(H,22,24)/b13-6+

  It can provide a standard way to encode the molecular information of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide 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 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide is:

  InChIKey=KHAFPPNITBVOSB-AWNIVKPZSA-N

  The InChIKey may allow easier web searches for 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide, but it needs to be linked to the full InChI to get back to the original structure of the 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide

  The 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide including the registry numbers are listed below, if available:

  
  
  None available.

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4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide formula?
C21H24N2O4
How many atoms and what elements are included in the 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide molecule?
51 atom(s) - 24 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide structure?
52 bond(s) - 28 non-H bond(s), 15 multiple bond(s), 8 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aromatic), and 2 ether(s) (aromatic)
What’s the 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide’s molar mass?
368.42626 g/mol
What’s the SMILES structure of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide?
COc2ccc(OCCNC(=O)C=Cc1ccc(cc1)C(=O)N(C)C)cc2
What’s the InChI code of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide?
InChI=1S/C21H24N2O4/c1-23(2)21(25)17-7-4-16(5-8-17)6-13-20(24)22-14-15-27-19-11-9-18(26-3)10-12-19/h4-13H,14-15H2,1-3H3,(H,22,24)/b13-6+
What’s the InChIKey format of 4-[(1E)-2-{[2-(4-methoxyphenoxy)ethyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide?
KHAFPPNITBVOSB-AWNIVKPZSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).