2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide

C20H26N4O4 — CID 94116551

About 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide (PubChem CID 94116551) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
• PubChem CID: 94116551
• Molecular Formula: C20H26N4O4
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.20
• IUPAC Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
• SMILES: C[C@H](CN1CCOCC1)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C20H26N4O4/c1-14(12-23-8-10-28-11-9-23)21-17(25)13-24-18(26)20(22-19(24)27)7-6-15-4-2-3-5-16(15)20/h2-5,14H,6-13H2,1H3,(H,21,25)(H,22,27)/t14-,20+/m1/s1
• InChIKey: WYCAUUGWSLVMKS-VLIAUNLRSA-N
• XLogP: 0.22
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?

The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide (CID 94116551) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide.

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

The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide is C[C@H](CN1CCOCC1)NC(=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-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?

The InChIKey is WYCAUUGWSLVMKS-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14(12-23-8-10-28-11-9-23)21-17(25)13-24-18(26)20(22-19(24)27)7-6-15-4-2-3-5-16(15)20/h2-5,14H,6-13H2,1H3,(H,21,25)(H,22,27)/t14-,20+/m1/s1.

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide is sourced from PubChem (CID 94116551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).