N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide

C20H36F3NO4Si3 — CID 6428501

IUPACN-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C20H36F3NO4Si3/c1-14(24-19(25)20(21,22)23)18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-14,18H,1-10H3,(H,24,25)
InChIKeyMOYVSPNBWWCRBJ-UHFFFAOYSA-N
MW495.76 g/mol
LogP6.07
Rot. Bonds9

About N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide

N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 6428501) has the molecular formula C20H36F3NO4Si3 and a molecular weight of 495.76 g/mol. Its IUPAC name is N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID6428501
Molecular FormulaC20H36F3NO4Si3
Molecular Weight495.76 g/mol
Exact Mass495.19
IUPAC NameN-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1
InChIInChI=1S/C20H36F3NO4Si3/c1-14(24-19(25)20(21,22)23)18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-14,18H,1-10H3,(H,24,25)
InChIKeyMOYVSPNBWWCRBJ-UHFFFAOYSA-N
XLogP6.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.76
LogP ≤ 56.07
H-Bond Donors ≤ 51
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)-l-dopa, trimethylsilyl ester
CID 622431
N-Trifluoroacetyl-O,O'-bis(trimethylsilyl)metanephrine
CID 626681
Isoprenaline, N-TFA-O-TMS
CID 6428505
Metaraminol, N-TFA-O-TMS
CID 6431265
N-2-(3',4'-ditriethylsilyloxyphenyl)ethyl methacrylamide
CID 134716501
N-[2-[3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]ethyl]-2-propenamide
CID 167713619
Adrenaline, N-HFB-O-TMS
CID 6427695
Isonormethanephrine, N-TFA-O-TMS
CID 6427696
Noradrenaline, N-HFB-O-TMS
CID 6427698

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide (CID 6428501) is N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1.
What is the InChIKey of N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is MOYVSPNBWWCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F3NO4Si3/c1-14(24-19(25)20(21,22)23)18(28-31(8,9)10)15-11-12-16(26-29(2,3)4)17(13-15)27-30(5,6)7/h11-14,18H,1-10H3,(H,24,25).
What are the key properties of N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 495.76 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,4-bis(trimethylsilyloxy)phenyl]-1-trimethylsilyloxypropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 6428501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).