SDF/Mol File of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide (C21H24N2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide Molecule

• Chemical structure of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide is available in chemical structure page of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

  The molecular weight of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide is available in molecular weight page of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide, 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 N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

  The chemical formula of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide is given in chemical formula page of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide, 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 N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide is:

  InChI=1S/C21H24N2O2/c1-16-6-8-18(9-7-16)20(24)10-11-21(25)22-13-15-23-14-12-17-4-2-3-5-19(17)23/h2-9H,10-15H2,1H3,(H,22,25)

  It can provide a standard way to encode the molecular information of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide 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 N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide is:

  InChIKey=UTAXKXGTXFCJNK-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

  The N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide including the registry numbers are listed below, if available:

  
  
  None available.

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N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide formula?
C21H24N2O2
How many atoms and what elements are included in the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide molecule?
49 atom(s) - 24 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide structure?
51 bond(s) - 27 non-H bond(s), 14 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic), and 1 tertiary amine(s) (aromatic)
What’s the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide’s molar mass?
336.42746 g/mol
What’s the SMILES structure of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
Cc1ccc(cc1)C(=O)CCC(=O)NCCN2CCc3ccccc23
What’s the InChI code of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
InChI=1S/C21H24N2O2/c1-16-6-8-18(9-7-16)20(24)10-11-21(25)22-13-15-23-14-12-17-4-2-3-5-19(17)23/h2-9H,10-15H2,1H3,(H,22,25)
What’s the InChIKey format of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
UTAXKXGTXFCJNK-UHFFFAOYSA-N

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