TL;DR: methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate (CAS 1039682-14-8) is a chemical compound with molecular formula C24H33N3O4 and molecular weight 427.2471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methoxy-3-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanoylamino]-1H-indole-2-carboxylate
Also Known As: methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate, methyl 4-methoxy-3-[2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)propanoylamino]-1H-indole-2-carboxylate, methyl 4-methoxy-3-{[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)propanoyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C24H33N3O4 |
| Molecular Weight | 427.2471 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.2471 Da |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
| SMILES | CC(C(=O)NC1=C(NC2=C1C(=CC=C2)OC)C(=O)OC)N3CC4(CC3CC(C4)(C)C)C |
| InChIKey | FEIQIHZQSSCKOA-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that methyl 4-methoxy-3-(2-(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 methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-methoxy-3-(2-(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), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is 1039682-14-8.
The molecular formula of methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is C24H33N3O4.
The molecular weight of methyl 4-methoxy-3-(2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propanamido)-1H-indole-2-carboxylate is 427.2471 g/mol.
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