N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C28H31N3O3 — CID 122459941

About N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 122459941) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 122459941
• Molecular Formula: C28H31N3O3
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.24
• IUPAC Name: N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)N(Cc1ccccc1)CC(C1CC1)C1CC1
• InChI: InChI=1S/C28H31N3O3/c32-25(18-31-26(33)28(29-27(31)34)15-14-22-8-4-5-9-24(22)28)30(16-19-6-2-1-3-7-19)17-23(20-10-11-20)21-12-13-21/h1-9,20-21,23H,10-18H2,(H,29,34)
• InChIKey: FGPAGYZPRJTXSZ-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 122459941) is N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)N(Cc1ccccc1)CC(C1CC1)C1CC1.

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

The InChIKey is FGPAGYZPRJTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-25(18-31-26(33)28(29-27(31)34)15-14-22-8-4-5-9-24(22)28)30(16-19-6-2-1-3-7-19)17-23(20-10-11-20)21-12-13-21/h1-9,20-21,23H,10-18H2,(H,29,34).

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

N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 457.57 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 122459941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).