ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate

C21H32F3N3O4 — CID 122539529

About ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 122539529) has the molecular formula C21H32F3N3O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 122539529
• Molecular Formula: C21H32F3N3O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.23
• IUPAC Name: ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CCOC(=O)N1CCC2(CC(N3CCC4(CC3)OC(=O)N(CC(F)(F)F)C4(C)C)C2)C1
• InChI: InChI=1S/C21H32F3N3O4/c1-4-30-16(28)26-8-5-19(13-26)11-15(12-19)25-9-6-20(7-10-25)18(2,3)27(17(29)31-20)14-21(22,23)24/h15H,4-14H2,1-3H3
• InChIKey: DURGVKNOSWQIAS-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 62.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 122539529) is ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC4(CC3)OC(=O)N(CC(F)(F)F)C4(C)C)C2)C1.

What is the InChIKey of ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is DURGVKNOSWQIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3N3O4/c1-4-30-16(28)26-8-5-19(13-26)11-15(12-19)25-9-6-20(7-10-25)18(2,3)27(17(29)31-20)14-21(22,23)24/h15H,4-14H2,1-3H3.

What are the key properties of ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate?

ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 447.50 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4,4-dimethyl-2-oxo-3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 122539529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).