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

C23H24N4O4 — CID 55443470

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

N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 55443470) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 55443470
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: Cc1cccc(NC(=O)NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1C
• InChI: InChI=1S/C23H24N4O4/c1-14-6-5-9-18(15(14)2)24-21(30)25-19(28)13-27-20(29)23(26-22(27)31)11-10-16-7-3-4-8-17(16)12-23/h3-9H,10-13H2,1-2H3,(H,26,31)(H2,24,25,28,30)
• InChIKey: HJYZDNPUCQDCNS-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
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-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (CID 55443470) is N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is Cc1cccc(NC(=O)NC(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1C.

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

The InChIKey is HJYZDNPUCQDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-6-5-9-18(15(14)2)24-21(30)25-19(28)13-27-20(29)23(26-22(27)31)11-10-16-7-3-4-8-17(16)12-23/h3-9H,10-13H2,1-2H3,(H,26,31)(H2,24,25,28,30).

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

N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 55443470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).