2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C24H26N4O6 — CID 25488365

About 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 25488365) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
• PubChem CID: 25488365
• Molecular Formula: C24H26N4O6
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.19
• IUPAC Name: 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
• SMILES: Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)c1
• InChI: InChI=1S/C24H26N4O6/c1-14-5-7-17(15(2)11-14)25-22(31)26-20(29)13-28-21(30)24(3,27-23(28)32)16-6-8-18-19(12-16)34-10-4-9-33-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,32)(H2,25,26,29,31)/t24-/m1/s1
• InChIKey: INEAERVXQDHFLZ-XMMPIXPASA-N
• XLogP: 2.58
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?

The IUPAC name of 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 25488365) is 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?

The canonical SMILES for 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c(C)c1.

What is the InChIKey of 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?

The InChIKey is INEAERVXQDHFLZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O6/c1-14-5-7-17(15(2)11-14)25-22(31)26-20(29)13-28-21(30)24(3,27-23(28)32)16-6-8-18-19(12-16)34-10-4-9-33-18/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,32)(H2,25,26,29,31)/t24-/m1/s1.

What are the key properties of 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?

2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 466.49 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 25488365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).