2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

C25H22N4O5 — CID 92786967

About 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (PubChem CID 92786967) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
• PubChem CID: 92786967
• Molecular Formula: C25H22N4O5
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.16
• IUPAC Name: 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
• SMILES: C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2NC1=O
• InChI: InChI=1S/C25H22N4O5/c1-14-22(31)27-19-12-18(9-10-20(19)34-14)26-21(30)13-29-23(32)25(2,28-24(29)33)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,14H,13H2,1-2H3,(H,26,30)(H,27,31)(H,28,33)/t14-,25-/m1/s1
• InChIKey: FQFRPSQBCBAIFQ-DLUDVSRJSA-N
• XLogP: 2.96
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
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-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?

The IUPAC name of 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (CID 92786967) is 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.

What is the SMILES notation for 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?

The canonical SMILES for 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)cc2NC1=O.

What is the InChIKey of 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?

The InChIKey is FQFRPSQBCBAIFQ-DLUDVSRJSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-14-22(31)27-19-12-18(9-10-20(19)34-14)26-21(30)13-29-23(32)25(2,28-24(29)33)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,14H,13H2,1-2H3,(H,26,30)(H,27,31)(H,28,33)/t14-,25-/m1/s1.

What are the key properties of 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?

2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide has a molecular weight of 458.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 92786967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).