5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide

C25H41FN2O4Si — CID 23439320

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide
SMILESCC(F)(CCC(CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C)C(=O)NCC=O)C(N)=O
InChIInChI=1S/C25H41FN2O4Si/c1-24(2,3)33(5,6)32-21(13-12-19-10-8-7-9-11-19)18-20(22(30)28-16-17-29)14-15-25(4,26)23(27)31/h7-11,17,20-21H,12-16,18H2,1-6H3,(H2,27,31)(H,28,30)
InChIKeyQEHKQMFKYUZTLJ-UHFFFAOYSA-N
MW480.70 g/mol
LogP4.32
Rot. Bonds14

About 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide

5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide (PubChem CID 23439320) has the molecular formula C25H41FN2O4Si and a molecular weight of 480.70 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide
PubChem CID23439320
Molecular FormulaC25H41FN2O4Si
Molecular Weight480.70 g/mol
Exact Mass480.28
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide
SMILESCC(F)(CCC(CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C)C(=O)NCC=O)C(N)=O
InChIInChI=1S/C25H41FN2O4Si/c1-24(2,3)33(5,6)32-21(13-12-19-10-8-7-9-11-19)18-20(22(30)28-16-17-29)14-15-25(4,26)23(27)31/h7-11,17,20-21H,12-16,18H2,1-6H3,(H2,27,31)(H,28,30)
InChIKeyQEHKQMFKYUZTLJ-UHFFFAOYSA-N
XLogP4.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.70
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide (CID 23439320) is 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide is CC(F)(CCC(CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C)C(=O)NCC=O)C(N)=O.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide?
The InChIKey is QEHKQMFKYUZTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41FN2O4Si/c1-24(2,3)33(5,6)32-21(13-12-19-10-8-7-9-11-19)18-20(22(30)28-16-17-29)14-15-25(4,26)23(27)31/h7-11,17,20-21H,12-16,18H2,1-6H3,(H2,27,31)(H,28,30).
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide?
5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide has a molecular weight of 480.70 g/mol, XLogP of 4.32, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutyl]-2-fluoro-2-methyl-N'-(2-oxoethyl)hexanediamide is sourced from PubChem (CID 23439320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).