3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C22H22F3N3O3 — CID 90818592

About 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90818592) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 90818592
• Molecular Formula: C22H22F3N3O3
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.16
• IUPAC Name: 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: Cc1ccc(C2=CC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ON2)cc1
• InChI: InChI=1S/C22H22F3N3O3/c1-15-2-4-16(5-3-15)19-14-21(31-27-19)10-12-28(13-11-21)20(29)26-17-6-8-18(9-7-17)30-22(23,24)25/h2-9,14,27H,10-13H2,1H3,(H,26,29)
• InChIKey: FFLGTJPUADBVML-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The IUPAC name of 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90818592) is 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

What is the SMILES notation for 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The canonical SMILES for 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is Cc1ccc(C2=CC3(CCN(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)ON2)cc1.

What is the InChIKey of 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The InChIKey is FFLGTJPUADBVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-15-2-4-16(5-3-15)19-14-21(31-27-19)10-12-28(13-11-21)20(29)26-17-6-8-18(9-7-17)30-22(23,24)25/h2-9,14,27H,10-13H2,1H3,(H,26,29).

What are the key properties of 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90818592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).