TL;DR: ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate (CAS 371938-47-5) is a chemical compound with molecular formula C21H23N3O3 and molecular weight 365.17395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[2-(benzylamino)acetyl]amino]-5-methyl-1H-indole-2-carboxylate
Also Known As: Ethyl 3-[[2-(benzylamino)acetyl]amino]-5-methyl-1H-indole-2-carboxylate, ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate, ethyl 3-(2-(benzylamino)acetamido)-5-methyl-1H-indole-2-carboxylate
| Molecular Formula | C21H23N3O3 |
| Molecular Weight | 365.17395 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.17395 Da |
| Heavy Atoms | 27 |
| Complexity | 507.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C)NC(=O)CNCC3=CC=CC=C3 |
| InChIKey | GEQPHQNXJNULMR-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate is 371938-47-5.
The molecular formula of ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate is C21H23N3O3.
The molecular weight of ethyl 3-[(N-benzylglycyl)amino]-5-methyl-1H-indole-2-carboxylate is 365.17395 g/mol.
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