TL;DR: N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide (CAS 1009290-04-3) is a chemical compound with molecular formula C25H35N3O2 and molecular weight 409.27292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide
Also Known As: VU0492460-1, F3072-0119, N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide, 4-Methyl-N-[2-(4-methyl-1-piperazinyl)-2-oxo-1-tricyclo[3.3.1.13,7]dec-1-ylethyl]benzamide, N-[1-(1-adamantyl)-2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-methylbenzamide
| Molecular Formula | C25H35N3O2 |
| Molecular Weight | 409.27292 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.27292 Da |
| Heavy Atoms | 30 |
| Complexity | 620.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(=O)N2CCN(CC2)C)C34CC5CC(C3)CC(C5)C4 |
| InChIKey | MVUAHCCTZPMUGI-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide is 1009290-04-3.
The molecular formula of N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide is C25H35N3O2.
The molecular weight of N-[1-(1-adamantyl)-2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzamide is 409.27292 g/mol.
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