1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one

C27H37NO4Si — CID 19792641

IUPAC1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccc(C(C)(C)C)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H37NO4Si/c1-8-33(9-2,10-3)32-24-23(19-13-17-22(31-7)18-14-19)28(26(24)30)25(29)20-11-15-21(16-12-20)27(4,5)6/h11-18,23-24H,8-10H2,1-7H3
InChIKeyGTGVSBTWGLXJDB-UHFFFAOYSA-N
MW467.68 g/mol
LogP6.11
Rot. Bonds8

About 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one

1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one (PubChem CID 19792641) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one
PubChem CID19792641
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Name1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccc(C(C)(C)C)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H37NO4Si/c1-8-33(9-2,10-3)32-24-23(19-13-17-22(31-7)18-14-19)28(26(24)30)25(29)20-11-15-21(16-12-20)27(4,5)6/h11-18,23-24H,8-10H2,1-7H3
InChIKeyGTGVSBTWGLXJDB-UHFFFAOYSA-N
XLogP6.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.68
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-(4-bromobenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one
CID 67853643
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034413
1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034403
tert-butyl 2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
CID 22670494
tert-butyl (3R,4S)-2-oxo-4-thiophen-3-yl-3-triethylsilyloxyazetidine-1-carboxylate
CID 54275683
5-(4-tert-butylphenyl)-4-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 4747666
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
5-(4-methoxybenzoyl)-6-oxo-5-azaspiro[2.3]hexane-4-carbonitrile
CID 11470849

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one (CID 19792641) is 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)OC1C(=O)N(C(=O)c2ccc(C(C)(C)C)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one?
The InChIKey is GTGVSBTWGLXJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-8-33(9-2,10-3)32-24-23(19-13-17-22(31-7)18-14-19)28(26(24)30)25(29)20-11-15-21(16-12-20)27(4,5)6/h11-18,23-24H,8-10H2,1-7H3.
What are the key properties of 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one?
1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one has a molecular weight of 467.68 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-4-(4-methoxyphenyl)-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 19792641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).