4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide

C28H33N3O2Si — CID 22929733

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(C#N)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1N(C)C
InChIInChI=1S/C28H33N3O2Si/c1-28(2,3)34(23-13-9-7-10-14-23,24-15-11-8-12-16-24)33-20-22-18-26(31(5)6)25(27(32)30-4)17-21(22)19-29/h7-18H,20H2,1-6H3,(H,30,32)
InChIKeyYQSSNRQGGLWMLE-UHFFFAOYSA-N
MW471.68 g/mol
LogP4.06
Rot. Bonds7

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide

4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide (PubChem CID 22929733) has the molecular formula C28H33N3O2Si and a molecular weight of 471.68 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide
PubChem CID22929733
Molecular FormulaC28H33N3O2Si
Molecular Weight471.68 g/mol
Exact Mass471.23
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(C#N)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1N(C)C
InChIInChI=1S/C28H33N3O2Si/c1-28(2,3)34(23-13-9-7-10-14-23,24-15-11-8-12-16-24)33-20-22-18-26(31(5)6)25(27(32)30-4)17-21(22)19-29/h7-18H,20H2,1-6H3,(H,30,32)
InChIKeyYQSSNRQGGLWMLE-UHFFFAOYSA-N
XLogP4.06
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
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 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide (CID 22929733) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide is CNC(=O)c1cc(C#N)c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1N(C)C.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide?
The InChIKey is YQSSNRQGGLWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2Si/c1-28(2,3)34(23-13-9-7-10-14-23,24-15-11-8-12-16-24)33-20-22-18-26(31(5)6)25(27(32)30-4)17-21(22)19-29/h7-18H,20H2,1-6H3,(H,30,32).
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide has a molecular weight of 471.68 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-cyano-2-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 22929733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).