N-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide

C24H51NO2Si — CID 122185134

IUPACN-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide
SMILESCCCCCCCC[Si](CCC)(CCC)CCCCCCCC(=O)NCCO
InChIInChI=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)
InChIKeyUNCCFHZGIUNAJU-UHFFFAOYSA-N
MW413.76 g/mol
LogP7.06
Rot. Bonds21

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 NameN-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide
PubChem CID122185134
Molecular FormulaC24H51NO2Si
Molecular Weight413.76 g/mol
Exact Mass413.37
IUPAC NameN-(2-hydroxyethyl)-8-[octyl(dipropyl)silyl]octanamide
SMILESCCCCCCCC[Si](CCC)(CCC)CCCCCCCC(=O)NCCO
InChIInChI=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)
InChIKeyUNCCFHZGIUNAJU-UHFFFAOYSA-N
XLogP7.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.76
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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).