TL;DR: N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE (CAS 1118815-86-3) is a chemical compound with molecular formula C18H23N5O4 and molecular weight 373.17502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-cyanocyclohexyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
Also Known As: N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE, N-(1-cyanocyclohexyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
| Molecular Formula | C18H23N5O4 |
| Molecular Weight | 373.17502 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.17502 Da |
| Heavy Atoms | 27 |
| Complexity | 685.0 |
| SMILES | C=CCN1C(=O)N(C(=O)N(C1=O)CC(=O)NC2(CCCCC2)C#N)CC=C |
| InChIKey | KQFLRJZCGWLCKX-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE. Following Lipinski's Rule of Five, N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE 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-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE is 1118815-86-3.
The molecular formula of N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE is C18H23N5O4.
The molecular weight of N-(1-CYANOCYCLOHEXYL)-2-[2,4,6-TRIOXO-3,5-BIS(PROP-2-EN-1-YL)-1,3,5-TRIAZINAN-1-YL]ACETAMIDE is 373.17502 g/mol.
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