2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

C23H25N3O5 — CID 42989173

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 42989173) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
• PubChem CID: 42989173
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
• SMILES: CCc1cccc(C)c1NC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
• InChI: InChI=1S/C23H25N3O5/c1-4-15-7-5-6-14(2)20(15)24-19(27)13-26-21(28)23(3,25-22(26)29)16-8-9-17-18(12-16)31-11-10-30-17/h5-9,12H,4,10-11,13H2,1-3H3,(H,24,27)(H,25,29)
• InChIKey: TZCUGTFQUKXGOQ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.73
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-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?

The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 42989173) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?

The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O.

What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?

The InChIKey is TZCUGTFQUKXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-15-7-5-6-14(2)20(15)24-19(27)13-26-21(28)23(3,25-22(26)29)16-8-9-17-18(12-16)31-11-10-30-17/h5-9,12H,4,10-11,13H2,1-3H3,(H,24,27)(H,25,29).

What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 42989173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).