TL;DR: ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate (CAS 1214197-41-7) is a chemical compound with molecular formula C25H35N3O4 and molecular weight 441.26276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-methoxy-3-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanoylamino]-1H-indole-2-carboxylate
Also Known As: ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate, ethyl 5-methoxy-3-[2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)propanoylamino]-1H-indole-2-carboxylate, ethyl 5-methoxy-3-{[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)propanoyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C25H35N3O4 |
| Molecular Weight | 441.26276 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.26276 Da |
| Heavy Atoms | 32 |
| Complexity | 728.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)N3CC4(CC3CC(C4)(C)C)C |
| InChIKey | ZWTCZQVDMNQUBP-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is 1214197-41-7.
The molecular formula of ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is C25H35N3O4.
The molecular weight of ethyl 5-methoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is 441.26276 g/mol.
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