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

C20H36F3NO4Si3 — CID 553891

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(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/C20H36F3NO4Si3/c1-24(19(25)20(21,22)23)14-18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-13,18H,14H2,1-10H3
InChIKeySXAPUNOGPVDUQY-UHFFFAOYSA-N
MW495.76 g/mol
LogP6.03
Rot. Bonds9

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

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 553891) has the molecular formula C20H36F3NO4Si3 and a molecular weight of 495.76 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID553891
Molecular FormulaC20H36F3NO4Si3
Molecular Weight495.76 g/mol
Exact Mass495.19
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(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/C20H36F3NO4Si3/c1-24(19(25)20(21,22)23)14-18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-13,18H,14H2,1-10H3
InChIKeySXAPUNOGPVDUQY-UHFFFAOYSA-N
XLogP6.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.76
LogP ≤ 56.03
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-Trifluoroacetyl-O,O'-bis(trimethylsilyl)metanephrine
CID 626681
Adrenaline, DTFMB-TMS
CID 526012
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-methylacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide (CID 553891) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide is CN(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-methylacetamide?
The InChIKey is SXAPUNOGPVDUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F3NO4Si3/c1-24(19(25)20(21,22)23)14-18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-13,18H,14H2,1-10H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 495.76 g/mol, XLogP of 6.03, 9 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-methylacetamide is sourced from PubChem (CID 553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).