TL;DR: Ecabapide (CAS 104775-36-2) is a chemical compound with molecular formula C20H25N3O4 and molecular weight 371.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-N-methylbenzamide
Also Known As: Ecabapide, Ecabamide, Muralis, ecabapida, Ecabapide [INN]
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H25N3O4 |
| Molecular Weight | 371.1845 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.1845 Da |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
| SMILES | CNC(=O)C1=CC(=CC=C1)NCC(=O)NCCC2=CC(=C(C=C2)OC)OC |
| InChIKey | JTAGHJPZEDNHHA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ecabapide. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ecabapide. Following Lipinski's Rule of Five, Ecabapide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ecabapide is 104775-36-2.
The molecular formula of Ecabapide is C20H25N3O4.
The molecular weight of Ecabapide is 371.1845 g/mol.
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