N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

C20H30F3NO2Si — CID 135054227

About N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (PubChem CID 135054227) has the molecular formula C20H30F3NO2Si and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
• PubChem CID: 135054227
• Molecular Formula: C20H30F3NO2Si
• Molecular Weight: 401.55 g/mol
• Exact Mass: 401.20
• IUPAC Name: N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
• SMILES: C=C[C@H](CO[Si](C)(C)C(C)(C)C)N(CCc1ccccc1)C(=O)C(F)(F)F
• InChI: InChI=1S/C20H30F3NO2Si/c1-7-17(15-26-27(5,6)19(2,3)4)24(18(25)20(21,22)23)14-13-16-11-9-8-10-12-16/h7-12,17H,1,13-15H2,2-6H3/t17-/m1/s1
• InChIKey: RCENOFDVCPCYDA-QGZVFWFLSA-N
• XLogP: 5.20
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.55
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?

The IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (CID 135054227) is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.

What is the SMILES notation for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?

The canonical SMILES for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is C=C[C@H](CO[Si](C)(C)C(C)(C)C)N(CCc1ccccc1)C(=O)C(F)(F)F.

What is the InChIKey of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?

The InChIKey is RCENOFDVCPCYDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30F3NO2Si/c1-7-17(15-26-27(5,6)19(2,3)4)24(18(25)20(21,22)23)14-13-16-11-9-8-10-12-16/h7-12,17H,1,13-15H2,2-6H3/t17-/m1/s1.

What are the key properties of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide has a molecular weight of 401.55 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 135054227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).