N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide

C22H23N5O6 — CID 166355345

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide (PubChem CID 166355345) has the molecular formula C22H23N5O6 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide
• PubChem CID: 166355345
• Molecular Formula: C22H23N5O6
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide
• SMILES: CC1(C)NC(=O)N(c2cccc(NC(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)c2)C1=O
• InChI: InChI=1S/C22H23N5O6/c1-22(2)19(29)27(21(31)26-22)15-5-3-4-13(10-15)25-20(30)23-12-18(28)24-14-6-7-16-17(11-14)33-9-8-32-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,28)(H,26,31)(H2,23,25,30)
• InChIKey: RCRWHSWCXOTTSL-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 138.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide (CID 166355345) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide.

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

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide is CC1(C)NC(=O)N(c2cccc(NC(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)c2)C1=O.

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

The InChIKey is RCRWHSWCXOTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O6/c1-22(2)19(29)27(21(31)26-22)15-5-3-4-13(10-15)25-20(30)23-12-18(28)24-14-6-7-16-17(11-14)33-9-8-32-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,28)(H,26,31)(H2,23,25,30).

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide has a molecular weight of 453.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 166355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).