TL;DR: 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione (CAS 1008668-03-8) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethylanilino)-1-prop-2-enylpyrrolidine-2,5-dione
Also Known As: 1-allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione, 3-(4-ethylanilino)-1-prop-2-enylpyrrolidine-2,5-dione, F3205-0043, 1-allyl-3-(p-ethylphenylamino)-2,5-pyrrolidinedione, 3-[(4-ethylphenyl)amino]-1-prop-2-enylazolidine-2,5-dione
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.13684 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 Da |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
| SMILES | CCC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CC=C |
| InChIKey | WPXKRDDELMSWFA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione is 1008668-03-8.
The molecular formula of 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione is C15H18N2O2.
The molecular weight of 1-Allyl-3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione is 258.13684 g/mol.
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