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

C24H26F3N3O3 — CID 90887199

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

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate (PubChem CID 90887199) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate.

Molecular Properties

• Compound Name: [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate
• PubChem CID: 90887199
• Molecular Formula: C24H26F3N3O3
• Molecular Weight: 461.48 g/mol
• Exact Mass: 461.19
• IUPAC Name: [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate
• SMILES: CCCc1ccccc1NC(=O)ON1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1
• InChI: InChI=1S/C24H26F3N3O3/c1-2-5-17-6-3-4-7-20(17)28-22(31)32-30-14-12-23(13-15-30)16-21(29-33-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11,16,29H,2,5,12-15H2,1H3,(H,28,31)
• InChIKey: LDXSXNUEBMUOCP-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.48
LogP ≤ 5	5.53
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-propylphenyl)carbamate?

The IUPAC name of [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate (CID 90887199) is [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)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-propylphenyl)carbamate?

The canonical SMILES for [3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate is CCCc1ccccc1NC(=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-propylphenyl)carbamate?

The InChIKey is LDXSXNUEBMUOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-2-5-17-6-3-4-7-20(17)28-22(31)32-30-14-12-23(13-15-30)16-21(29-33-23)18-8-10-19(11-9-18)24(25,26)27/h3-4,6-11,16,29H,2,5,12-15H2,1H3,(H,28,31).

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

[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-propylphenyl)carbamate has a molecular weight of 461.48 g/mol, XLogP of 5.53, 5 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-propylphenyl)carbamate is sourced from PubChem (CID 90887199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).