Home SDF/Mol File This Compound
loading

SDF/Mol File of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide (C24H31N3O2)

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

2D chemical structure image of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide
Chemical Formula C24H31N3O2
Molecular Weight 393.52184 g/mol
IUPAC Name 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide
SMILES String CC(C)N1CCN(CC1)c3ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc3
InChI 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)
InChIKey FBSOEGMXGBOUDP-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

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. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains 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 molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide
Ball-and-stick model of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

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

  • 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 named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide including the registry numbers are listed below, if available:



    None available.


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 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide formula?
C24H31N3O2
How many atoms and what elements are included in 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 in 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 molar mass?
393.52184 g/mol
What’s the SMILES structure 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 code 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 format of 4-(4-methylphenyl)-4-oxo-N-{4-[4-(propan-2-yl)piperazin-1-yl]phenyl}butanamide?
FBSOEGMXGBOUDP-UHFFFAOYSA-N

29 The contents of this page can freely be shared if cited as follows:
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).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.