N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide

C17H27NO2Si2 — CID 10544650

IUPACN-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide
SMILESC[Si](C)(C)C(=C=O)C(C(=O)NCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H27NO2Si2/c1-21(2,3)15(13-19)16(22(4,5)6)17(20)18-12-14-10-8-7-9-11-14/h7-11,16H,12H2,1-6H3,(H,18,20)
InChIKeySCWLBCDJEIXPMI-UHFFFAOYSA-N
MW333.58 g/mol
LogP3.65
Rot. Bonds6

About N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide

N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide (PubChem CID 10544650) has the molecular formula C17H27NO2Si2 and a molecular weight of 333.58 g/mol. Its IUPAC name is N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide
PubChem CID10544650
Molecular FormulaC17H27NO2Si2
Molecular Weight333.58 g/mol
Exact Mass333.16
IUPAC NameN-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide
SMILESC[Si](C)(C)C(=C=O)C(C(=O)NCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H27NO2Si2/c1-21(2,3)15(13-19)16(22(4,5)6)17(20)18-12-14-10-8-7-9-11-14/h7-11,16H,12H2,1-6H3,(H,18,20)
InChIKeySCWLBCDJEIXPMI-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide?
The IUPAC name of N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide (CID 10544650) is N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide.
What is the SMILES notation for N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide?
The canonical SMILES for N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide is C[Si](C)(C)C(=C=O)C(C(=O)NCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide?
The InChIKey is SCWLBCDJEIXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2Si2/c1-21(2,3)15(13-19)16(22(4,5)6)17(20)18-12-14-10-8-7-9-11-14/h7-11,16H,12H2,1-6H3,(H,18,20).
What are the key properties of N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide?
N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide has a molecular weight of 333.58 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-2,3-bis(trimethylsilyl)but-3-enamide is sourced from PubChem (CID 10544650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).