benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate

C33H41ClF3N3O5Si — CID 10078275

About benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate

benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 10078275) has the molecular formula C33H41ClF3N3O5Si and a molecular weight of 680.24 g/mol. Its IUPAC name is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 10078275
• Molecular Formula: C33H41ClF3N3O5Si
• Molecular Weight: 680.24 g/mol
• Exact Mass: 679.25
• IUPAC Name: benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2Cl)ccc(NC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C33H41ClF3N3O5Si/c1-21(2)28(29(33(35,36)37)45-46(6,7)32(3,4)5)39-27(41)19-40-26(23-15-11-12-16-24(23)34)18-17-25(30(40)42)38-31(43)44-20-22-13-9-8-10-14-22/h8-18,21,28-29H,19-20H2,1-7H3,(H,38,43)(H,39,41)
• InChIKey: UZROWMPZIZOJNX-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.24
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate?

The IUPAC name of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate (CID 10078275) is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate.

What is the SMILES notation for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate?

The canonical SMILES for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate is CC(C)C(NC(=O)Cn1c(-c2ccccc2Cl)ccc(NC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

What is the InChIKey of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate?

The InChIKey is UZROWMPZIZOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClF3N3O5Si/c1-21(2)28(29(33(35,36)37)45-46(6,7)32(3,4)5)39-27(41)19-40-26(23-15-11-12-16-24(23)34)18-17-25(30(40)42)38-31(43)44-20-22-13-9-8-10-14-22/h8-18,21,28-29H,19-20H2,1-7H3,(H,38,43)(H,39,41).

What are the key properties of benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate?

benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 680.24 g/mol, XLogP of 8.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(2-chlorophenyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 10078275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).