N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide

C19H34F3NO3Si3 — CID 553660

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
SMILESC[Si](C)(C)Oc1ccc(CCN(C(=O)C(F)(F)F)[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C19H34F3NO3Si3/c1-27(2,3)23(18(24)19(20,21)22)13-12-15-10-11-16(25-28(4,5)6)17(14-15)26-29(7,8)9/h10-11,14H,12-13H2,1-9H3
InChIKeyNBZNPWGIGWZDSI-UHFFFAOYSA-N
MW465.74 g/mol
LogP5.88
Rot. Bonds8

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide (PubChem CID 553660) has the molecular formula C19H34F3NO3Si3 and a molecular weight of 465.74 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
PubChem CID553660
Molecular FormulaC19H34F3NO3Si3
Molecular Weight465.74 g/mol
Exact Mass465.18
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide
SMILESC[Si](C)(C)Oc1ccc(CCN(C(=O)C(F)(F)F)[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C19H34F3NO3Si3/c1-27(2,3)23(18(24)19(20,21)22)13-12-15-10-11-16(25-28(4,5)6)17(14-15)26-29(7,8)9/h10-11,14H,12-13H2,1-9H3
InChIKeyNBZNPWGIGWZDSI-UHFFFAOYSA-N
XLogP5.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.74
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pholedrine, N-TFA-O-TMS
CID 529772
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-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 10579178
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
N-Methyl-3,4-dihydroxyphenylalanine, N-TFA-O-TMS
CID 6427697
Noradrenaline, N-HFB-O-TMS
CID 6427698
Bamethane, N-TFA-O-TMS
CID 6428500
Corbasil, N-TFA-O-TMS
CID 6428501

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide (CID 553660) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide is C[Si](C)(C)Oc1ccc(CCN(C(=O)C(F)(F)F)[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
The InChIKey is NBZNPWGIGWZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3NO3Si3/c1-27(2,3)23(18(24)19(20,21)22)13-12-15-10-11-16(25-28(4,5)6)17(14-15)26-29(7,8)9/h10-11,14H,12-13H2,1-9H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide has a molecular weight of 465.74 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-trimethylsilylacetamide is sourced from PubChem (CID 553660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).