N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide

C33H43NO4Si2 — CID 153167840

About N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide

N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide (PubChem CID 153167840) has the molecular formula C33H43NO4Si2 and a molecular weight of 573.88 g/mol. Its IUPAC name is N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
• PubChem CID: 153167840
• Molecular Formula: C33H43NO4Si2
• Molecular Weight: 573.88 g/mol
• Exact Mass: 573.27
• IUPAC Name: N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
• SMILES: C[Si](C)(C)C#Cc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(C#C[Si](C)(C)C)cc3)CC2)cc1
• InChI: InChI=1S/C33H43NO4Si2/c1-39(2,3)21-19-26-9-15-31(16-10-26)37-24-30(35)23-28-7-13-29(14-8-28)34-33(36)25-38-32-17-11-27(12-18-32)20-22-40(4,5)6/h9-12,15-18,28-29H,7-8,13-14,23-25H2,1-6H3,(H,34,36)
• InChIKey: WDPNGRPZUKZVIM-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.88
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide?

The IUPAC name of N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide (CID 153167840) is N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide.

What is the SMILES notation for N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide?

The canonical SMILES for N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide is C[Si](C)(C)C#Cc1ccc(OCC(=O)CC2CCC(NC(=O)COc3ccc(C#C[Si](C)(C)C)cc3)CC2)cc1.

What is the InChIKey of N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide?

The InChIKey is WDPNGRPZUKZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO4Si2/c1-39(2,3)21-19-26-9-15-31(16-10-26)37-24-30(35)23-28-7-13-29(14-8-28)34-33(36)25-38-32-17-11-27(12-18-32)20-22-40(4,5)6/h9-12,15-18,28-29H,7-8,13-14,23-25H2,1-6H3,(H,34,36).

What are the key properties of N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide?

N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide has a molecular weight of 573.88 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide is sourced from PubChem (CID 153167840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).