TL;DR: 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) (CAS 111261-85-9) is a chemical compound with molecular formula C25H32N2O and molecular weight 376.25146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
Also Known As: 8-Peabomp, 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide), N-(4-methylphenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide, Propanamide, N-(4-methylphenyl)-N-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, N-(4-methylphenyl)-N-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
| Molecular Formula | C25H32N2O |
| Molecular Weight | 376.25146 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.25146 Da |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
| SMILES | CCC(=O)N(C1CC2CCC(C1)N2CCC3=CC=CC=C3)C4=CC=C(C=C4)C |
| InChIKey | KCPLUBBKRGPPMQ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) is 111261-85-9.
The molecular formula of 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) is C25H32N2O.
The molecular weight of 8-(2-Phenethyl)-8-azabicyclo(3.2.1)octane-3-(4-methylpropionanilide) is 376.25146 g/mol.
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