2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide

C21H29NO2Si — CID 12968566

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
SMILESCc1ccc(C(O[Si](C)(C)C(C)(C)C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H29NO2Si/c1-16-12-14-17(15-13-16)19(24-25(5,6)21(2,3)4)20(23)22-18-10-8-7-9-11-18/h7-15,19H,1-6H3,(H,22,23)
InChIKeyRDYGLDAHAHFNCG-UHFFFAOYSA-N
MW355.55 g/mol
LogP5.70
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide

2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide (PubChem CID 12968566) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
PubChem CID12968566
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
SMILESCc1ccc(C(O[Si](C)(C)C(C)(C)C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H29NO2Si/c1-16-12-14-17(15-13-16)19(24-25(5,6)21(2,3)4)20(23)22-18-10-8-7-9-11-18/h7-15,19H,1-6H3,(H,22,23)
InChIKeyRDYGLDAHAHFNCG-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.55
LogP ≤ 55.70
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-phenylmethyl]but-3-en-2-one
CID 102483532
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo-5-phenylpent-2-enal
CID 135026287
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548296
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] butanoate
CID 7796632
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7835039
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7835040
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide (CID 12968566) is 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide is Cc1ccc(C(O[Si](C)(C)C(C)(C)C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide?
The InChIKey is RDYGLDAHAHFNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-16-12-14-17(15-13-16)19(24-25(5,6)21(2,3)4)20(23)22-18-10-8-7-9-11-18/h7-15,19H,1-6H3,(H,22,23).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide?
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide has a molecular weight of 355.55 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide is sourced from PubChem (CID 12968566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).