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

C23H24F3N3O2 — CID 91141557

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

N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91141557) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 91141557
• Molecular Formula: C23H24F3N3O2
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.18
• IUPAC Name: N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: O=C(NCCc1ccccc1)N1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1
• InChI: InChI=1S/C23H24F3N3O2/c24-23(25,26)19-8-6-18(7-9-19)20-16-22(31-28-20)11-14-29(15-12-22)21(30)27-13-10-17-4-2-1-3-5-17/h1-9,16,28H,10-15H2,(H,27,30)
• InChIKey: QUNGWILJEQVUCE-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91141557) is N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

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

The canonical SMILES for N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(NCCc1ccccc1)N1CCC2(C=C(c3ccc(C(F)(F)F)cc3)NO2)CC1.

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

The InChIKey is QUNGWILJEQVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)19-8-6-18(7-9-19)20-16-22(31-28-20)11-14-29(15-12-22)21(30)27-13-10-17-4-2-1-3-5-17/h1-9,16,28H,10-15H2,(H,27,30).

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

N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91141557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).