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

C27H39F6NO4Si3 — CID 526012

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H39F6NO4Si3/c1-34(25(35)19-13-20(26(28,29)30)16-21(14-19)27(31,32)33)17-24(38-41(8,9)10)18-11-12-22(36-39(2,3)4)23(15-18)37-40(5,6)7/h11-16,24H,17H2,1-10H3
InChIKeyPGCARAXUUGXVRZ-UHFFFAOYSA-N
MW639.86 g/mol
LogP8.82
Rot. Bonds10

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

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 526012) has the molecular formula C27H39F6NO4Si3 and a molecular weight of 639.86 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID526012
Molecular FormulaC27H39F6NO4Si3
Molecular Weight639.86 g/mol
Exact Mass639.21
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H39F6NO4Si3/c1-34(25(35)19-13-20(26(28,29)30)16-21(14-19)27(31,32)33)17-24(38-41(8,9)10)18-11-12-22(36-39(2,3)4)23(15-18)37-40(5,6)7/h11-16,24H,17H2,1-10H3
InChIKeyPGCARAXUUGXVRZ-UHFFFAOYSA-N
XLogP8.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.86
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 526012) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is CN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is PGCARAXUUGXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F6NO4Si3/c1-34(25(35)19-13-20(26(28,29)30)16-21(14-19)27(31,32)33)17-24(38-41(8,9)10)18-11-12-22(36-39(2,3)4)23(15-18)37-40(5,6)7/h11-16,24H,17H2,1-10H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]-2-trimethylsilyloxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 639.86 g/mol, XLogP of 8.82, 10 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]-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 526012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).