[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate

C21H27F3N2O5 — CID 52911924

About [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate

[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate (PubChem CID 52911924) has the molecular formula C21H27F3N2O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate.

Molecular Properties

• Compound Name: [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate
• PubChem CID: 52911924
• Molecular Formula: C21H27F3N2O5
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.19
• IUPAC Name: [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate
• SMILES: CC(C)(O)CNC(=O)OC1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O
• InChI: InChI=1S/C21H27F3N2O5/c1-19(2,29)13-25-18(28)30-15-7-9-20(10-8-15)11-12-26(17(20)27)14-3-5-16(6-4-14)31-21(22,23)24/h3-6,15,29H,7-13H2,1-2H3,(H,25,28)
• InChIKey: WDZFWBBBSNQKIO-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate?

The IUPAC name of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate (CID 52911924) is [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate.

What is the SMILES notation for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate?

The canonical SMILES for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate is CC(C)(O)CNC(=O)OC1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O.

What is the InChIKey of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate?

The InChIKey is WDZFWBBBSNQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O5/c1-19(2,29)13-25-18(28)30-15-7-9-20(10-8-15)11-12-26(17(20)27)14-3-5-16(6-4-14)31-21(22,23)24/h3-6,15,29H,7-13H2,1-2H3,(H,25,28).

What are the key properties of [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate?

[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate has a molecular weight of 444.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-(2-hydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 52911924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).