N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide

C18H28F3NO2Si — CID 91735712

IUPACN-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C(O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H28F3NO2Si/c1-13(22(5)16(23)18(19,20)21)15(14-11-9-8-10-12-14)24-25(6,7)17(2,3)4/h8-13,15H,1-7H3
InChIKeyCVMJNUGPDSCHGY-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.16
Rot. Bonds5

About N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide

N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 91735712) has the molecular formula C18H28F3NO2Si and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID91735712
Molecular FormulaC18H28F3NO2Si
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C(O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H28F3NO2Si/c1-13(22(5)16(23)18(19,20)21)15(14-11-9-8-10-12-14)24-25(6,7)17(2,3)4/h8-13,15H,1-7H3
InChIKeyCVMJNUGPDSCHGY-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.16
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-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide (CID 91735712) is N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide is CC(C(O[Si](C)(C)C(C)(C)C)c1ccccc1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is CVMJNUGPDSCHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3NO2Si/c1-13(22(5)16(23)18(19,20)21)15(14-11-9-8-10-12-14)24-25(6,7)17(2,3)4/h8-13,15H,1-7H3.
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 375.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 91735712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).