N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide

C24H31F6NO3Si2 — CID 526017

IUPACN-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H31F6NO3Si2/c1-31(22(32)16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)15-21(34-36(5,6)7)19-10-8-9-11-20(19)33-35(2,3)4/h8-14,21H,15H2,1-7H3
InChIKeyQDKWRYQRJXZNDI-UHFFFAOYSA-N
MW551.68 g/mol
LogP7.60
Rot. Bonds8

About N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide

N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide (PubChem CID 526017) has the molecular formula C24H31F6NO3Si2 and a molecular weight of 551.68 g/mol. Its IUPAC name is N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide
PubChem CID526017
Molecular FormulaC24H31F6NO3Si2
Molecular Weight551.68 g/mol
Exact Mass551.17
IUPAC NameN-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H31F6NO3Si2/c1-31(22(32)16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)15-21(34-36(5,6)7)19-10-8-9-11-20(19)33-35(2,3)4/h8-14,21H,15H2,1-7H3
InChIKeyQDKWRYQRJXZNDI-UHFFFAOYSA-N
XLogP7.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 57.60
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

Adrenaline, DTFMB-TMS
CID 526012
m-Octopamine, DTFMB-TMS
CID 526014
m-Synephrine, DTFMB-TMS
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Phenylethanolamine, N-DTFMB-TMS
CID 526018
Phenylethanolamine, N-methyl, N-DTFMB-TMS
CID 526019
p-Synephrine, DTFMB-TMS
CID 526020
p-Tyramine, DTFMB-TMS
CID 526021
Adrenaline, DTFMB-TBDMS
CID 528729
m-Octopamine, DTFMB-TBDMS
CID 528733
p-Synephrine. DTFMB-TBDMS
CID 528734
p-Octopamine, DTFMB-TBDMS
CID 528737
p-Octopamine, DTFMB-TMS
CID 528738

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide (CID 526017) is N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide is CN(CC(O[Si](C)(C)C)c1ccccc1O[Si](C)(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide?
The InChIKey is QDKWRYQRJXZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F6NO3Si2/c1-31(22(32)16-12-17(23(25,26)27)14-18(13-16)24(28,29)30)15-21(34-36(5,6)7)19-10-8-9-11-20(19)33-35(2,3)4/h8-14,21H,15H2,1-7H3.
What are the key properties of N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide?
N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide has a molecular weight of 551.68 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,5-bis(trifluoromethyl)-N-[2-trimethylsilyloxy-2-(2-trimethylsilyloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 526017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).