[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate

C23H24F3N3O3 — CID 91440326

About [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate (PubChem CID 91440326) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate.

Molecular Properties

• Compound Name: [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate
• PubChem CID: 91440326
• Molecular Formula: C23H24F3N3O3
• Molecular Weight: 447.46 g/mol
• Exact Mass: 447.18
• IUPAC Name: [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate
• SMILES: CCc1ccccc1NC(=O)ON1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1
• InChI: InChI=1S/C23H24F3N3O3/c1-2-16-5-3-4-6-19(16)27-21(30)31-29-13-11-22(12-14-29)15-20(28-32-22)17-7-9-18(10-8-17)23(24,25)26/h3-10,15,28H,2,11-14H2,1H3,(H,27,30)
• InChIKey: UEQKXAAKTQCBFN-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.46
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate?

The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate (CID 91440326) is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate.

What is the SMILES notation for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate?

The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate is CCc1ccccc1NC(=O)ON1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1.

What is the InChIKey of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate?

The InChIKey is UEQKXAAKTQCBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-2-16-5-3-4-6-19(16)27-21(30)31-29-13-11-22(12-14-29)15-20(28-32-22)17-7-9-18(10-8-17)23(24,25)26/h3-10,15,28H,2,11-14H2,1H3,(H,27,30).

What are the key properties of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate?

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate has a molecular weight of 447.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-ethylphenyl)carbamate is sourced from PubChem (CID 91440326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).