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

C31H45F3N4O7Si — CID 22399045

About benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 22399045) has the molecular formula C31H45F3N4O7Si and a molecular weight of 670.80 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]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 22399045
• Molecular Formula: C31H45F3N4O7Si
• Molecular Weight: 670.80 g/mol
• Exact Mass: 670.30
• IUPAC Name: benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate
• SMILES: CC(O)CNC(=O)c1ccn(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c(=O)c1NC(=O)OCc1ccccc1
• InChI: InChI=1S/C31H45F3N4O7Si/c1-19(2)24(26(31(32,33)34)45-46(7,8)30(4,5)6)36-23(40)17-38-15-14-22(27(41)35-16-20(3)39)25(28(38)42)37-29(43)44-18-21-12-10-9-11-13-21/h9-15,19-20,24,26,39H,16-18H2,1-8H3,(H,35,41)(H,36,40)(H,37,43)
• InChIKey: SQZFZVWHVFUMOK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 147.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.80
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate (CID 22399045) is benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate is CC(O)CNC(=O)c1ccn(CC(=O)NC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c(=O)c1NC(=O)OCc1ccccc1.

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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate?

The InChIKey is SQZFZVWHVFUMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45F3N4O7Si/c1-19(2)24(26(31(32,33)34)45-46(7,8)30(4,5)6)36-23(40)17-38-15-14-22(27(41)35-16-20(3)39)25(28(38)42)37-29(43)44-18-21-12-10-9-11-13-21/h9-15,19-20,24,26,39H,16-18H2,1-8H3,(H,35,41)(H,36,40)(H,37,43).

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]-4-(2-hydroxypropylcarbamoyl)-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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 670.80 g/mol, XLogP of 4.80, 13 rotatable bonds, 4 hydrogen bond donors, and 8 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]-4-(2-hydroxypropylcarbamoyl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 22399045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).