![2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile structure](/static/products/1025/1025242-61-8.webp)
2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile (CAS 1025242-61-8) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(N-ethylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-{[ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(ETHYLPHENYLAMINO)PROP-2-ENENITRILE, (E)-2-(2,2-dimethylpropanoyl)-3-(ethylanilino)-2-propenenitrile, 2-[(N-ethylanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(N-ethylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Technical Specifications
| Molecular Formula | C16H20N2O |
| Molecular Weight | 256.15756 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.15756 Da |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
| SMILES | CCN(C=C(C#N)C(=O)C(C)(C)C)C1=CC=CC=C1 |
| InChIKey | VRQITRYTLRXCDT-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 3.6 indicates that 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile is 1025242-61-8.
What is the molecular formula of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile is C16H20N2O.
What is the molecular weight of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile is 256.15756 g/mol.
Where can I buy 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-{[Ethyl(phenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.