N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide

C23H30F3NO2Si — CID 173124325

IUPACN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C23H30F3NO2Si/c1-6-18(27(5)21(28)23(24,25)26)17-29-30(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m0/s1
InChIKeyKERPRXIIKNJAAR-SFHVURJKSA-N
MW437.58 g/mol
LogP4.36
Rot. Bonds7

About N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide

N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 173124325) has the molecular formula C23H30F3NO2Si and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID173124325
Molecular FormulaC23H30F3NO2Si
Molecular Weight437.58 g/mol
Exact Mass437.20
IUPAC NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C23H30F3NO2Si/c1-6-18(27(5)21(28)23(24,25)26)17-29-30(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m0/s1
InChIKeyKERPRXIIKNJAAR-SFHVURJKSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide (CID 173124325) is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide is CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is KERPRXIIKNJAAR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30F3NO2Si/c1-6-18(27(5)21(28)23(24,25)26)17-29-30(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18H,6,17H2,1-5H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 437.58 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 173124325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).