Structure & Deep Data of 3-(cyclopentylamino)-N-phenylpropanamide (C14H20N2O)
Identification of 3-(cyclopentylamino)-N-phenylpropanamide Chemical Compound
Chemical Formula | C14H20N2O |
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Molecular Weight | 232.3214 g/mol |
IUPAC Name | 3-(cyclopentylamino)-N-phenylpropanamide |
SMILES String | O=C(CCNC1CCCC1)Nc2ccccc2 |
InChI | InChI=1S/C14H20N2O/c17-14(16-13-8-2-1-3-9-13)10-11-15-12-6-4-5-7-12/h1-3,8-9,12,15H,4-7,10-11H2,(H,16,17) |
InChIKey | LEWGNOYUHFGDDM-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 3-(cyclopentylamino)-N-phenylpropanamide molecule contains a total of 38 bond(s). There are 18 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 secondary amine(s) (aliphatic). Images of the chemical structure of 3-(cyclopentylamino)-N-phenylpropanamide are given below:
The 2D chemical structure image of 3-(cyclopentylamino)-N-phenylpropanamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-(cyclopentylamino)-N-phenylpropanamide 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 3-(cyclopentylamino)-N-phenylpropanamide 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 3-(cyclopentylamino)-N-phenylpropanamide. 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 3-(cyclopentylamino)-N-phenylpropanamide is provided here.
The 3-(cyclopentylamino)-N-phenylpropanamide 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 3-(cyclopentylamino)-N-phenylpropanamide 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 3-(cyclopentylamino)-N-phenylpropanamide 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 3-(cyclopentylamino)-N-phenylpropanamide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-(cyclopentylamino)-N-phenylpropanamide
The SMILES string of 3-(cyclopentylamino)-N-phenylpropanamide is O=C(CCNC1CCCC1)Nc2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-(cyclopentylamino)-N-phenylpropanamide.
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Structure Data File (SDF/MOL File) of 3-(cyclopentylamino)-N-phenylpropanamide
The structure data file (SDF/MOL File) of 3-(cyclopentylamino)-N-phenylpropanamide is available for download in the SDF page of 3-(cyclopentylamino)-N-phenylpropanamide, which provides the information about the atoms, bonds, connectivity and coordinates of 3-(cyclopentylamino)-N-phenylpropanamide. The 3-(cyclopentylamino)-N-phenylpropanamide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-(cyclopentylamino)-N-phenylpropanamide
The molecular formula of 3-(cyclopentylamino)-N-phenylpropanamide is available in chemical formula page of 3-(cyclopentylamino)-N-phenylpropanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 3-(cyclopentylamino)-N-phenylpropanamide
The molecular weight of 3-(cyclopentylamino)-N-phenylpropanamide is available in molecular weight page of 3-(cyclopentylamino)-N-phenylpropanamide, 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.
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Other names (synonyms) or registry numbers of 3-(cyclopentylamino)-N-phenylpropanamide
The 3-(cyclopentylamino)-N-phenylpropanamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-(cyclopentylamino)-N-phenylpropanamide including the various registry numbers, if available:
None available.
3-(cyclopentylamino)-N-phenylpropanamide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 3-(cyclopentylamino)-N-phenylpropanamide? |
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C14H20N2O |
How many atoms and what are the elements included the 3-(cyclopentylamino)-N-phenylpropanamide molecule? |
37 atom(s) - 20 Hydrogen atom(s), 14 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 3-(cyclopentylamino)-N-phenylpropanamide structure? |
38 bond(s) - 18 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 secondary amine(s) (aliphatic) |
What’s the 3-(cyclopentylamino)-N-phenylpropanamide’s molecular weight? |
232.3214 g/mol |
What’s the SMILES code of 3-(cyclopentylamino)-N-phenylpropanamide? |
O=C(CCNC1CCCC1)Nc2ccccc2 |
What’s the InChI string of 3-(cyclopentylamino)-N-phenylpropanamide? |
InChI=1S/C14H20N2O/c17-14(16-13-8-2-1-3-9-13)10-11-15-12-6-4-5-7-12/h1-3,8-9,12,15H,4-7,10-11H2,(H,16,17) |
What’s the InChIKey code of 3-(cyclopentylamino)-N-phenylpropanamide? |
LEWGNOYUHFGDDM-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).