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Structure & Deep Data of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea (C20H34N4O2)

Identification of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea Chemical Compound

2D chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea
Chemical Formula C20H34N4O2
Molecular Weight 362.50956 g/mol
IUPAC Name 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea
SMILES String COc1ccc(cc1)C(CNC(=O)NCCC(C)C)N2CCN(C)CC2
InChI InChI=1S/C20H34N4O2/c1-16(2)9-10-21-20(25)22-15-19(24-13-11-23(3)12-14-24)17-5-7-18(26-4)8-6-17/h5-8,16,19H,9-15H2,1-4H3,(H2,21,22,25)
InChIKey FBQIIBYRIOVUEK-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea molecule contains a total of 61 bond(s). There are 27 non-H bond(s), 7 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 2 tertiary amine(s) (aliphatic), and 1 ether(s) (aromatic). Images of the chemical structure of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea are given below:

2D chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea
2-dimensional (2D) chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea
3D chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea
3-dimensional (3D) chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea

The 2D chemical structure image of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea 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 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea 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 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea is provided here.

The 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea Molecule

  • Other names (synonyms) or registry numbers of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea

    The 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea including the various registry numbers, if available:



    None available.


1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea?
C20H34N4O2
How many atoms and what are the elements included the 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea molecule?
60 atom(s) - 34 Hydrogen atom(s), 20 Carbon atom(s), 4 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea structure?
61 bond(s) - 27 non-H bond(s), 7 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 urea (-thio) derivative(s), 2 tertiary amine(s) (aliphatic), and 1 ether(s) (aromatic)
What’s the 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea’s molecular weight?
362.50956 g/mol
What’s the SMILES code of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea?
COc1ccc(cc1)C(CNC(=O)NCCC(C)C)N2CCN(C)CC2
What’s the InChI string of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea?
InChI=1S/C20H34N4O2/c1-16(2)9-10-21-20(25)22-15-19(24-13-11-23(3)12-14-24)17-5-7-18(26-4)8-6-17/h5-8,16,19H,9-15H2,1-4H3,(H2,21,22,25)
What’s the InChIKey code of 1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylbutyl)urea?
FBQIIBYRIOVUEK-UHFFFAOYSA-N

33 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).

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