2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide

C20H27NO2Si — CID 135063561

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)24(5,6)23-16-13-11-15(12-14-16)17-9-7-8-10-18(17)19(22)21-4/h7-14H,1-6H3,(H,21,22)
InChIKeyZKWDCLZNKYMWNZ-UHFFFAOYSA-N
MW341.53 g/mol
LogP5.10
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide (PubChem CID 135063561) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide
PubChem CID135063561
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27NO2Si/c1-20(2,3)24(5,6)23-16-13-11-15(12-14-16)17-9-7-8-10-18(17)19(22)21-4/h7-14H,1-6H3,(H,21,22)
InChIKeyZKWDCLZNKYMWNZ-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.53
LogP ≤ 55.10
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 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide (CID 135063561) is 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide is CNC(=O)c1ccccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide?
The InChIKey is ZKWDCLZNKYMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-20(2,3)24(5,6)23-16-13-11-15(12-14-16)17-9-7-8-10-18(17)19(22)21-4/h7-14H,1-6H3,(H,21,22).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide?
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide has a molecular weight of 341.53 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylbenzamide is sourced from PubChem (CID 135063561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).