Structure & Deep Data of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide (C24H31N3O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide molecule contains a total of 62 bond(s). There are 31 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), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide are given below:

The 2D chemical structure image of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide 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 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide 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 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

  The SMILES string of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide is CC(C)N1CCN(CC1)c3ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide.

• Structure Data File (SDF/MOL File) of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

  The structure data file (SDF/MOL File) of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide is available for download in the SDF page of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide, which provides the information about the atoms, bonds, connectivity and coordinates of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide. The 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

  The molecular formula of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide is available in chemical formula page of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

  The molecular weight of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide is available in molecular weight page of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide, 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 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

  The 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide including the various registry numbers, if available:

  
  
  None available.

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4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide?
C24H31N3O2
How many atoms and what are the elements included the 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide molecule?
60 atom(s) - 31 Hydrogen atom(s), 24 Carbon atom(s), 3 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide structure?
62 bond(s) - 31 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), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic)
What’s the 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide’s molecular weight?
393.52184 g/mol
What’s the SMILES code of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide?
CC(C)N1CCN(CC1)c3ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc3
What’s the InChI string of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide?
InChI=1S/C24H31N3O2/c1-18(2)26-14-16-27(17-15-26)22-10-8-21(9-11-22)25-24(29)13-12-23(28)20-6-4-19(3)5-7-20/h4-11,18H,12-17H2,1-3H3,(H,25,29)
What’s the InChIKey code of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide?
FBSOEGMXGBOUDP-UHFFFAOYSA-N

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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).