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

C21H18N4O5 — CID 7962315

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

N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7962315) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 7962315
• Molecular Formula: C21H18N4O5
• Molecular Weight: 406.40 g/mol
• Exact Mass: 406.13
• IUPAC Name: N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O
• InChI: InChI=1S/C21H18N4O5/c1-21(14-6-7-16-17(10-14)30-9-8-29-16)19(27)25(20(28)24-21)12-18(26)23-15-5-3-2-4-13(15)11-22/h2-7,10H,8-9,12H2,1H3,(H,23,26)(H,24,28)/t21-/m1/s1
• InChIKey: BUIVVBMATVHFBP-OAQYLSRUSA-N
• XLogP: 1.74
• TPSA: 120.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.40
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
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 N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7962315) is N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O.

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

The InChIKey is BUIVVBMATVHFBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-21(14-6-7-16-17(10-14)30-9-8-29-16)19(27)25(20(28)24-21)12-18(26)23-15-5-3-2-4-13(15)11-22/h2-7,10H,8-9,12H2,1H3,(H,23,26)(H,24,28)/t21-/m1/s1.

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

N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 406.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7962315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).