benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate

C34H44F3N3O5Si — CID 22405485

About benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate (PubChem CID 22405485) has the molecular formula C34H44F3N3O5Si and a molecular weight of 659.82 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-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate
• PubChem CID: 22405485
• Molecular Formula: C34H44F3N3O5Si
• Molecular Weight: 659.82 g/mol
• Exact Mass: 659.30
• IUPAC Name: benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate
• SMILES: Cc1c(-c2ccccc2)cc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C34H44F3N3O5Si/c1-22(2)29(30(34(35,36)37)45-46(7,8)33(4,5)6)39-28(41)20-40-23(3)26(25-17-13-10-14-18-25)19-27(31(40)42)38-32(43)44-21-24-15-11-9-12-16-24/h9-19,22,29-30H,20-21H2,1-8H3,(H,38,43)(H,39,41)
• InChIKey: NKGJZCKMLGXXCY-UHFFFAOYSA-N
• XLogP: 7.67
• 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	659.82
LogP ≤ 5	7.67
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-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate (CID 22405485) is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate is Cc1c(-c2ccccc2)cc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate?

The InChIKey is NKGJZCKMLGXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44F3N3O5Si/c1-22(2)29(30(34(35,36)37)45-46(7,8)33(4,5)6)39-28(41)20-40-23(3)26(25-17-13-10-14-18-25)19-27(31(40)42)38-32(43)44-21-24-15-11-9-12-16-24/h9-19,22,29-30H,20-21H2,1-8H3,(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-methyl-2-oxo-5-phenyl-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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate has a molecular weight of 659.82 g/mol, XLogP of 7.67, 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-methyl-2-oxo-5-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 22405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).