TL;DR: [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate (CAS 1008670-02-7) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.1794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
Also Known As: [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate|2-[(6-Methoxypyridin-3-yl)amino]-2-oxoethyl N-(4-methylbenzoyl)valinate|MLS002251422|CHEMBL1731050|SMR001313822|Z85103498
| Molecular Formula | C21H25N3O5 |
| Molecular Weight | 399.1794 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.1794 Da |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CN=C(C=C2)OC |
| InChIKey | QUVDRMVQSNXIRZ-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate. Following Lipinski's Rule of Five, [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate is 1008670-02-7.
The molecular formula of [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate is C21H25N3O5.
The molecular weight of [2-[(6-methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate is 399.1794 g/mol.
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