TL;DR: N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide (CAS 1212144-83-6) is a chemical compound with molecular formula C26H33N3O5 and molecular weight 467.24203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxo-5-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]pentanamide
Also Known As: N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide, N-[2-(2,3-dimethoxyphenyl)ethyl]-5-oxo-5-[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentanamide
| Molecular Formula | C26H33N3O5 |
| Molecular Weight | 467.24203 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.24203 Da |
| Heavy Atoms | 34 |
| Complexity | 825.0 |
| SMILES | COC1=CC=CC(=C1OC)CCNC(=O)CCCC(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3 |
| InChIKey | RQIHZAXVZLGPDJ-AZUAARDMSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide. Following Lipinski's Rule of Five, N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide has 1 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 N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide is 1212144-83-6.
The molecular formula of N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide is C26H33N3O5.
The molecular weight of N-(2,3-dimethoxyphenethyl)-5-oxo-5-((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)pentanamide is 467.24203 g/mol.
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