N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide

C26H37F6NO4Si3 — CID 528735

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C26H37F6NO4Si3/c1-38(2,3)35-21-11-10-17(14-22(21)36-39(4,5)6)23(37-40(7,8)9)16-33-24(34)18-12-19(25(27,28)29)15-20(13-18)26(30,31)32/h10-15,23H,16H2,1-9H3,(H,33,34)
InChIKeyRAMMWEIIFWOGPV-UHFFFAOYSA-N
MW625.83 g/mol
LogP8.47
Rot. Bonds10

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 528735) has the molecular formula C26H37F6NO4Si3 and a molecular weight of 625.83 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID528735
Molecular FormulaC26H37F6NO4Si3
Molecular Weight625.83 g/mol
Exact Mass625.19
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESC[Si](C)(C)Oc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C26H37F6NO4Si3/c1-38(2,3)35-21-11-10-17(14-22(21)36-39(4,5)6)23(37-40(7,8)9)16-33-24(34)18-12-19(25(27,28)29)15-20(13-18)26(30,31)32/h10-15,23H,16H2,1-9H3,(H,33,34)
InChIKeyRAMMWEIIFWOGPV-UHFFFAOYSA-N
XLogP8.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.83
LogP ≤ 58.47
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',O''-tris(trimethylsilyl)norepinephrine
CID 553889
Adrenaline, DTFMB-TMS
CID 526012
Dopamine, N-DTFMB-TMS
CID 526013
m-Octopamine, DTFMB-TMS
CID 526014
m-Synephrine, DTFMB-TMS
CID 526015
p-Synephrine, DTFMB-TMS
CID 526020
p-Tyramine, DTFMB-TMS
CID 526021
Adrenaline, DTFMB-TBDMS
CID 528729
Dopamine, DTFMB-TBDMS
CID 528732
m-Octopamine, DTFMB-TBDMS
CID 528733
p-Synephrine. DTFMB-TBDMS
CID 528734
p-Octopamine, DTFMB-TBDMS
CID 528737

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide (CID 528735) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide is C[Si](C)(C)Oc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is RAMMWEIIFWOGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F6NO4Si3/c1-38(2,3)35-21-11-10-17(14-22(21)36-39(4,5)6)23(37-40(7,8)9)16-33-24(34)18-12-19(25(27,28)29)15-20(13-18)26(30,31)32/h10-15,23H,16H2,1-9H3,(H,33,34).
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 625.83 g/mol, XLogP of 8.47, 10 rotatable bonds, 1 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]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 528735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).