N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

C29H42FN3O5Si2 — CID 140877196

About N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide

N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (PubChem CID 140877196) has the molecular formula C29H42FN3O5Si2 and a molecular weight of 587.84 g/mol. Its IUPAC name is N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
• PubChem CID: 140877196
• Molecular Formula: C29H42FN3O5Si2
• Molecular Weight: 587.84 g/mol
• Exact Mass: 587.26
• IUPAC Name: N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
• SMILES: Cc1cn([C@H]2C[C@@]3(O[Si](C)(C)C)C[C@]4(F)C[C@]4(O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=O)nc1NC(=O)c1ccccc1
• InChI: InChI=1S/C29H42FN3O5Si2/c1-19-16-33(25(35)32-22(19)31-23(34)20-13-11-10-12-14-20)21-15-27(37-39(5,6)7)17-28(30)18-29(28,24(27)36-21)38-40(8,9)26(2,3)4/h10-14,16,21,24H,15,17-18H2,1-9H3,(H,31,32,34,35)/t21-,24+,27-,28+,29+/m1/s1
• InChIKey: JDDMQTDFTYVWRO-YGSDXLCUSA-N
• XLogP: 5.96
• TPSA: 91.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.84
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
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 N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The IUPAC name of N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide (CID 140877196) is N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide.

What is the SMILES notation for N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The canonical SMILES for N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is Cc1cn([C@H]2C[C@@]3(O[Si](C)(C)C)C[C@]4(F)C[C@]4(O[Si](C)(C)C(C)(C)C)[C@H]3O2)c(=O)nc1NC(=O)c1ccccc1.

What is the InChIKey of N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

The InChIKey is JDDMQTDFTYVWRO-YGSDXLCUSA-N. The full InChI is InChI=1S/C29H42FN3O5Si2/c1-19-16-33(25(35)32-22(19)31-23(34)20-13-11-10-12-14-20)21-15-27(37-39(5,6)7)17-28(30)18-29(28,24(27)36-21)38-40(8,9)26(2,3)4/h10-14,16,21,24H,15,17-18H2,1-9H3,(H,31,32,34,35)/t21-,24+,27-,28+,29+/m1/s1.

What are the key properties of N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide?

N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 587.84 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1S,2S,4R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-6-trimethylsilyloxy-9-oxatricyclo[4.3.0.02,4]nonan-8-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 140877196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).