SDF/Mol File of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide (C24H31N3O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide Molecule

• Chemical structure of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide is available in chemical structure page of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide

  The molecular weight of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide is available in molecular weight page of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide, 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 (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide

  The chemical formula of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide is given in chemical formula page of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide, 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 (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide is:

  InChI=1S/C24H31N3O/c1-20(23-11-7-4-8-12-23)17-24(28)25-21(2)18-26-13-15-27(16-14-26)19-22-9-5-3-6-10-22/h3-12,17,21H,13-16,18-19H2,1-2H3,(H,25,28)/b20-17+/t21-/m0/s1

  It can provide a standard way to encode the molecular information of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide 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 (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide is:

  InChIKey=ZRWVBECBKFVMLM-NUTRWHQKSA-N

  The InChIKey may allow easier web searches for (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide, but it needs to be linked to the full InChI to get back to the original structure of the (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide

  The (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide including the registry numbers are listed below, if available:

  
  
  None available.

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(2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide Identification Summary Frequently Asked Questions (FAQs)

What’s the (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide formula?
C24H31N3O
How many atoms and what elements are included in the (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide molecule?
59 atom(s) - 31 Hydrogen atom(s), 24 Carbon atom(s), 3 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide structure?
61 bond(s) - 30 non-H bond(s), 14 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 2 tertiary amine(s) (aliphatic)
What’s the (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide’s molar mass?
377.52244 g/mol
What’s the SMILES structure of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide?
CC(CN1CCN(CC1)Cc2ccccc2)NC(=O)C=C(C)c3ccccc3
What’s the InChI code of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide?
InChI=1S/C24H31N3O/c1-20(23-11-7-4-8-12-23)17-24(28)25-21(2)18-26-13-15-27(16-14-26)19-22-9-5-3-6-10-22/h3-12,17,21H,13-16,18-19H2,1-2H3,(H,25,28)/b20-17+/t21-/m0/s1
What’s the InChIKey format of (2E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbut-2-enamide?
ZRWVBECBKFVMLM-NUTRWHQKSA-N

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