5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide

C25H43FN2O3Si — CID 87951399

IUPAC5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide
SMILESCC(C)(F)CCC(CC(O[Si](C)(C)C(C)(C)C)C(N)Cc1ccccc1)C(=O)NCC=O
InChIInChI=1S/C25H43FN2O3Si/c1-24(2,3)32(6,7)31-22(21(27)17-19-11-9-8-10-12-19)18-20(13-14-25(4,5)26)23(30)28-15-16-29/h8-12,16,20-22H,13-15,17-18,27H2,1-7H3,(H,28,30)
InChIKeyOTYLYKLURBMTKU-UHFFFAOYSA-N
MW466.71 g/mol
LogP4.80
Rot. Bonds13

About 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide

5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide (PubChem CID 87951399) has the molecular formula C25H43FN2O3Si and a molecular weight of 466.71 g/mol. Its IUPAC name is 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide.

Molecular Properties

Compound Name5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide
PubChem CID87951399
Molecular FormulaC25H43FN2O3Si
Molecular Weight466.71 g/mol
Exact Mass466.30
IUPAC Name5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide
SMILESCC(C)(F)CCC(CC(O[Si](C)(C)C(C)(C)C)C(N)Cc1ccccc1)C(=O)NCC=O
InChIInChI=1S/C25H43FN2O3Si/c1-24(2,3)32(6,7)31-22(21(27)17-19-11-9-8-10-12-19)18-20(13-14-25(4,5)26)23(30)28-15-16-29/h8-12,16,20-22H,13-15,17-18,27H2,1-7H3,(H,28,30)
InChIKeyOTYLYKLURBMTKU-UHFFFAOYSA-N
XLogP4.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.71
LogP ≤ 54.80
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-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide?
The IUPAC name of 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide (CID 87951399) is 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide.
What is the SMILES notation for 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide?
The canonical SMILES for 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide is CC(C)(F)CCC(CC(O[Si](C)(C)C(C)(C)C)C(N)Cc1ccccc1)C(=O)NCC=O.
What is the InChIKey of 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide?
The InChIKey is OTYLYKLURBMTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43FN2O3Si/c1-24(2,3)32(6,7)31-22(21(27)17-19-11-9-8-10-12-19)18-20(13-14-25(4,5)26)23(30)28-15-16-29/h8-12,16,20-22H,13-15,17-18,27H2,1-7H3,(H,28,30).
What are the key properties of 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide?
5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide has a molecular weight of 466.71 g/mol, XLogP of 4.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluoro-3-methylbutyl)-N-(2-oxoethyl)-6-phenylhexanamide is sourced from PubChem (CID 87951399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).