2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

C23H25N3O4 — CID 33033622

About 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 33033622) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
• PubChem CID: 33033622
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
• SMILES: COc1ccc(C)cc1CCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C23H25N3O4/c1-15-7-8-19(30-2)17(13-15)10-12-24-20(27)14-26-21(28)23(25-22(26)29)11-9-16-5-3-4-6-18(16)23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29)/t23-/m0/s1
• InChIKey: KPWSOBDCQODAGH-QHCPKHFHSA-N
• XLogP: 2.06
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
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 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 33033622) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1CCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.

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

The InChIKey is KPWSOBDCQODAGH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-7-8-19(30-2)17(13-15)10-12-24-20(27)14-26-21(28)23(25-22(26)29)11-9-16-5-3-4-6-18(16)23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29)/t23-/m0/s1.

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 33033622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).