N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide

C24H31F3N2O3Si — CID 142735885

About N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide

N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 142735885) has the molecular formula C24H31F3N2O3Si and a molecular weight of 480.60 g/mol. Its IUPAC name is N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide
• PubChem CID: 142735885
• Molecular Formula: C24H31F3N2O3Si
• Molecular Weight: 480.60 g/mol
• Exact Mass: 480.21
• IUPAC Name: N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide
• SMILES: COc1cc(/C=N/N(C(=O)C(F)(F)F)c2ccc(C)cc2C)ccc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H31F3N2O3Si/c1-16-9-11-19(17(2)13-16)29(22(30)24(25,26)27)28-15-18-10-12-20(21(14-18)31-6)32-33(7,8)23(3,4)5/h9-15H,1-8H3/b28-15+
• InChIKey: SZWWFSLNTFSVHM-RWPZCVJISA-N
• XLogP: 6.63
• TPSA: 51.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide?

The IUPAC name of N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide (CID 142735885) is N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide is COc1cc(/C=N/N(C(=O)C(F)(F)F)c2ccc(C)cc2C)ccc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide?

The InChIKey is SZWWFSLNTFSVHM-RWPZCVJISA-N. The full InChI is InChI=1S/C24H31F3N2O3Si/c1-16-9-11-19(17(2)13-16)29(22(30)24(25,26)27)28-15-18-10-12-20(21(14-18)31-6)32-33(7,8)23(3,4)5/h9-15H,1-8H3/b28-15+.

What are the key properties of N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide?

N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 480.60 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylideneamino]-N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142735885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).