N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C23H27F6NO2Si — CID 528739

IUPACN-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H27F6NO2Si/c1-21(2,3)33(4,5)32-19-8-6-15(7-9-19)10-11-30-20(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h6-9,12-14H,10-11H2,1-5H3,(H,30,31)
InChIKeyXFEUWHPUEQTYBS-UHFFFAOYSA-N
MW491.55 g/mol
LogP7.08
Rot. Bonds6

About N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 528739) has the molecular formula C23H27F6NO2Si and a molecular weight of 491.55 g/mol. Its IUPAC name is N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID528739
Molecular FormulaC23H27F6NO2Si
Molecular Weight491.55 g/mol
Exact Mass491.17
IUPAC NameN-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H27F6NO2Si/c1-21(2,3)33(4,5)32-19-8-6-15(7-9-19)10-11-30-20(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h6-9,12-14H,10-11H2,1-5H3,(H,30,31)
InChIKeyXFEUWHPUEQTYBS-UHFFFAOYSA-N
XLogP7.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 528739) is N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide is CC(C)(C)[Si](C)(C)Oc1ccc(CCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XFEUWHPUEQTYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F6NO2Si/c1-21(2,3)33(4,5)32-19-8-6-15(7-9-19)10-11-30-20(31)16-12-17(22(24,25)26)14-18(13-16)23(27,28)29/h6-9,12-14H,10-11H2,1-5H3,(H,30,31).
What are the key properties of N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 491.55 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 528739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).