N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide

C13H24F3NO3Si — CID 174087673

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide
SMILESCC(C)(C)[Si](C)(C)OCCN(CCC=O)C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO3Si/c1-12(2,3)21(4,5)20-10-8-17(7-6-9-18)11(19)13(14,15)16/h9H,6-8,10H2,1-5H3
InChIKeyVDNGONFZKZXHPF-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.99
Rot. Bonds7

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide (PubChem CID 174087673) has the molecular formula C13H24F3NO3Si and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide
PubChem CID174087673
Molecular FormulaC13H24F3NO3Si
Molecular Weight327.42 g/mol
Exact Mass327.15
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide
SMILESCC(C)(C)[Si](C)(C)OCCN(CCC=O)C(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO3Si/c1-12(2,3)21(4,5)20-10-8-17(7-6-9-18)11(19)13(14,15)16/h9H,6-8,10H2,1-5H3
InChIKeyVDNGONFZKZXHPF-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide (CID 174087673) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide is CC(C)(C)[Si](C)(C)OCCN(CCC=O)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide?
The InChIKey is VDNGONFZKZXHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3Si/c1-12(2,3)21(4,5)20-10-8-17(7-6-9-18)11(19)13(14,15)16/h9H,6-8,10H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoro-N-(3-oxopropyl)acetamide is sourced from PubChem (CID 174087673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).