About N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide
N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide (PubChem CID 122185134) has the molecular formula C24H51NO2Si
and a molecular weight of 413.76 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide.
Molecular Properties
| Compound Name | N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide |
| PubChem CID | 122185134 |
| Molecular Formula | C24H51NO2Si |
| Molecular Weight | 413.76 g/mol |
| Exact Mass | 413.37 |
| IUPAC Name | N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide |
| SMILES | CCCCCCCC[Si](CCC)(CCC)CCCCCCCC(=O)NCCO |
| InChI | InChI=1S/C24H51NO2Si/c1-4-7-8-9-12-15-22-28(20-5-2,21-6-3)23-16-13-10-11-14-17-24(27)25-18-19-26/h26H,4-23H2,1-3H3,(H,25,27) |
| InChIKey | UNCCFHZGIUNAJU-UHFFFAOYSA-N |
| XLogP | 7.06 |
| TPSA | 49.33 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 28 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 413.76 |
| LogP ≤ 5 | 7.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide?
The IUPAC name of N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide (CID 122185134) is N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide?
The canonical SMILES for N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide is CCCCCCCC[Si](CCC)(CCC)CCCCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide?
The InChIKey is UNCCFHZGIUNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2Si/c1-4-7-8-9-12-15-22-28(20-5-2,21-6-3)23-16-13-10-11-14-17-24(27)25-18-19-26/h26H,4-23H2,1-3H3,(H,25,27).
What are the key properties of N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide?
N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide has a molecular weight of 413.76 g/mol, XLogP of 7.06, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide is sourced from PubChem (CID 122185134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).