N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide

C24H40N4O6Si2 — CID 143888923

About N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide (PubChem CID 143888923) has the molecular formula C24H40N4O6Si2 and a molecular weight of 536.78 g/mol. Its IUPAC name is N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide
• PubChem CID: 143888923
• Molecular Formula: C24H40N4O6Si2
• Molecular Weight: 536.78 g/mol
• Exact Mass: 536.25
• IUPAC Name: N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1ccn([C@@H]2OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]2C#N)c(=O)n1
• InChI: InChI=1S/C24H40N4O6Si2/c1-14(2)35(15(3)4)31-13-20-22(33-36(34-35,16(5)6)17(7)8)19(12-25)23(32-20)28-11-10-21(26-18(9)29)27-24(28)30/h10-11,14-17,19-20,22-23H,13H2,1-9H3,(H,26,27,29,30)/t19-,20?,22-,23+/m0/s1
• InChIKey: HWDXGIQQBACIOJ-MCQMBDSBSA-N
• XLogP: 4.20
• TPSA: 124.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.78
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide?

The IUPAC name of N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide (CID 143888923) is N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide?

The canonical SMILES for N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide is CC(=O)Nc1ccn([C@@H]2OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]2C#N)c(=O)n1.

What is the InChIKey of N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide?

The InChIKey is HWDXGIQQBACIOJ-MCQMBDSBSA-N. The full InChI is InChI=1S/C24H40N4O6Si2/c1-14(2)35(15(3)4)31-13-20-22(33-36(34-35,16(5)6)17(7)8)19(12-25)23(32-20)28-11-10-21(26-18(9)29)27-24(28)30/h10-11,14-17,19-20,22-23H,13H2,1-9H3,(H,26,27,29,30)/t19-,20?,22-,23+/m0/s1.

What are the key properties of N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide?

N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide has a molecular weight of 536.78 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(8R,9S,9aS)-9-cyano-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-oxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 143888923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).