N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide

C22H40F3NO4Si3 — CID 6428505

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C22H40F3NO4Si3/c1-16(2)26(21(27)22(23,24)25)15-20(30-33(9,10)11)17-12-13-18(28-31(3,4)5)19(14-17)29-32(6,7)8/h12-14,16,20H,15H2,1-11H3
InChIKeyWYVLXNFPHNPSER-UHFFFAOYSA-N
MW523.82 g/mol
LogP6.81
Rot. Bonds10

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide (PubChem CID 6428505) has the molecular formula C22H40F3NO4Si3 and a molecular weight of 523.82 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
PubChem CID6428505
Molecular FormulaC22H40F3NO4Si3
Molecular Weight523.82 g/mol
Exact Mass523.22
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C22H40F3NO4Si3/c1-16(2)26(21(27)22(23,24)25)15-20(30-33(9,10)11)17-12-13-18(28-31(3,4)5)19(14-17)29-32(6,7)8/h12-14,16,20H,15H2,1-11H3
InChIKeyWYVLXNFPHNPSER-UHFFFAOYSA-N
XLogP6.81
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.82
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)metanephrine
CID 626681
Adrenaline, N-HFB-O-TMS
CID 6427695
Isonormethanephrine, N-TFA-O-TMS
CID 6427696
N-Methyl-3,4-dihydroxyphenylalanine, N-TFA-O-TMS
CID 6427697
Noradrenaline, N-HFB-O-TMS
CID 6427698
Normethanephrine, N-TFA-O-TMS
CID 6427699
Bamethane, N-TFA-O-TMS
CID 6428500
Corbasil, N-TFA-O-TMS
CID 6428501
Epinine, N-TFA-O-TMS
CID 6428502

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide (CID 6428505) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide is CC(C)N(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
The InChIKey is WYVLXNFPHNPSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F3NO4Si3/c1-16(2)26(21(27)22(23,24)25)15-20(30-33(9,10)11)17-12-13-18(28-31(3,4)5)19(14-17)29-32(6,7)8/h12-14,16,20H,15H2,1-11H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide has a molecular weight of 523.82 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-propan-2-ylacetamide is sourced from PubChem (CID 6428505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).