N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

C26H26F3N3O4 — CID 118956890

About N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide

N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 118956890) has the molecular formula C26H26F3N3O4 and a molecular weight of 501.51 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
• PubChem CID: 118956890
• Molecular Formula: C26H26F3N3O4
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
• SMILES: CC(C1CC1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C26H26F3N3O4/c1-16(18-9-10-18)31(14-17-5-4-7-20(13-17)36-26(27,28)29)22(33)15-32-23(34)25(30-24(32)35)12-11-19-6-2-3-8-21(19)25/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,30,35)
• InChIKey: CLLUHERIPWPLGJ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?

The IUPAC name of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide (CID 118956890) is N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide.

What is the SMILES notation for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?

The canonical SMILES for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is CC(C1CC1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.

What is the InChIKey of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?

The InChIKey is CLLUHERIPWPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4/c1-16(18-9-10-18)31(14-17-5-4-7-20(13-17)36-26(27,28)29)22(33)15-32-23(34)25(30-24(32)35)12-11-19-6-2-3-8-21(19)25/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,30,35).

What are the key properties of N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide?

N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 501.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 118956890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).