3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide

C14H23NO2Si — CID 18942782

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO2Si/c1-10-7-8-11(13(15)16)9-12(10)17-18(5,6)14(2,3)4/h7-9H,1-6H3,(H2,15,16)
InChIKeyHKAATKGHKCZXNZ-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.48
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide

3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide (PubChem CID 18942782) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
PubChem CID18942782
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H23NO2Si/c1-10-7-8-11(13(15)16)9-12(10)17-18(5,6)14(2,3)4/h7-9H,1-6H3,(H2,15,16)
InChIKeyHKAATKGHKCZXNZ-UHFFFAOYSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzaldehyde
CID 87059060
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
propyl 3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]benzoate
CID 91742551
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
4-methyl-3-phosphanylbenzamide
CID 142140528

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide (CID 18942782) is 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide is Cc1ccc(C(N)=O)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide?
The InChIKey is HKAATKGHKCZXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-10-7-8-11(13(15)16)9-12(10)17-18(5,6)14(2,3)4/h7-9H,1-6H3,(H2,15,16).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide?
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide has a molecular weight of 265.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide is sourced from PubChem (CID 18942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).