TL;DR: 1-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione (CAS 1009770-02-8) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione
Also Known As: 1-benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione, 1-benzyl-3-(4-methylanilino)pyrrolidine-2,5-dione, 1-benzyl-3-[(4-methylphenyl)amino]pyrrolidine-2,5-dione, VU0507620-1, 3-[(4-methylphenyl)amino]-1-benzylazolidine-2,5-dione
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.13684 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.13684 Da |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
| SMILES | CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)CC3=CC=CC=C3 |
| InChIKey | ZOBUJIZPZPVSGV-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-(p-tolylamino)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-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione is 1009770-02-8.
The molecular formula of 1-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione is C18H18N2O2.
The molecular weight of 1-Benzyl-3-(p-tolylamino)pyrrolidine-2,5-dione is 294.13684 g/mol.
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