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

C35H45F3N4O6Si — CID 22405528

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

benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate (PubChem CID 22405528) has the molecular formula C35H45F3N4O6Si and a molecular weight of 702.85 g/mol. Its IUPAC name is benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 22405528
• Molecular Formula: C35H45F3N4O6Si
• Molecular Weight: 702.85 g/mol
• Exact Mass: 702.31
• IUPAC Name: benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CNC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C35H45F3N4O6Si/c1-23(2)30(31(35(36,37)38)48-49(6,7)34(3,4)5)41-29(44)21-42-27(25-16-12-9-13-17-25)19-18-26(32(42)45)40-28(43)20-39-33(46)47-22-24-14-10-8-11-15-24/h8-19,23,30-31H,20-22H2,1-7H3,(H,39,46)(H,40,43)(H,41,44)
• InChIKey: STJKFWCYZIIZQR-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 127.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.85
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate (CID 22405528) is benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate.

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

The canonical SMILES for benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)CNC(=O)OCc2ccccc2)c1=O)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F.

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

The InChIKey is STJKFWCYZIIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45F3N4O6Si/c1-23(2)30(31(35(36,37)38)48-49(6,7)34(3,4)5)41-29(44)21-42-27(25-16-12-9-13-17-25)19-18-26(32(42)45)40-28(43)20-39-33(46)47-22-24-14-10-8-11-15-24/h8-19,23,30-31H,20-22H2,1-7H3,(H,39,46)(H,40,43)(H,41,44).

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

benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate has a molecular weight of 702.85 g/mol, XLogP of 6.47, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[2-[[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 22405528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).