2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide

C21H21N3O3 — CID 2706018

About 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide (PubChem CID 2706018) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 2706018
• Molecular Formula: C21H21N3O3
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.16
• IUPAC Name: 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C21H21N3O3/c1-14-7-2-5-11-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-6-9-15-8-3-4-10-16(15)21/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,22,25)(H,23,27)/t21-/m1/s1
• InChIKey: JMVVWBGQKMLSSC-OAQYLSRUSA-N
• XLogP: 2.72
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
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 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide (CID 2706018) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O.

What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is JMVVWBGQKMLSSC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-7-2-5-11-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-6-9-15-8-3-4-10-16(15)21/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,22,25)(H,23,27)/t21-/m1/s1.

What are the key properties of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide?

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2706018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).