Home Chemical Formula N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

Chemical Formula of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide (C21H24N2O2)

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

2D chemical structure image of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
Chemical Formula C21H24N2O2
Molecular Weight 336.42746 g/mol
IUPAC Name N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
SMILES String Cc1ccc(cc1)C(=O)CCC(=O)NCCN2CCc3ccccc23
InChI 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)
InChIKey UTAXKXGTXFCJNK-UHFFFAOYSA-N

Chemical Formula Description

The N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide molecule contains a total of 49 atom(s). There are 24 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s) and 2 Oxygen atom(s). A chemical formula of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide can therefore be written as:

C21H24N2O2

The chemical formula of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
Ball-and-stick model of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

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


  • InChI (IUPAC International Chemical Identifier) information of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide including the registry numbers is given below, if available:



    None available.


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

What’s the chemical formula of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
C21H24N2O2
How many atoms and what are they in the N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide structure?
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 are they 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 molecular weight of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
336.42746 g/mol
What’s the SMILES string 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 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 of N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide?
UTAXKXGTXFCJNK-UHFFFAOYSA-N

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