N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C23H25F2N3O6 — CID 17424308

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 17424308) has the molecular formula C23H25F2N3O6 and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 17424308
• Molecular Formula: C23H25F2N3O6
• Molecular Weight: 477.46 g/mol
• Exact Mass: 477.17
• IUPAC Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)C2=O)cc1OC
• InChI: InChI=1S/C23H25F2N3O6/c1-23(15-7-10-17(32-3)18(11-15)33-4)20(30)28(22(31)26-23)13-19(29)27(2)12-14-5-8-16(9-6-14)34-21(24)25/h5-11,21H,12-13H2,1-4H3,(H,26,31)
• InChIKey: HQWCMZIJDRLXQM-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 97.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
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-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 17424308) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)C2=O)cc1OC.

What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is HQWCMZIJDRLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O6/c1-23(15-7-10-17(32-3)18(11-15)33-4)20(30)28(22(31)26-23)13-19(29)27(2)12-14-5-8-16(9-6-14)34-21(24)25/h5-11,21H,12-13H2,1-4H3,(H,26,31).

What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 477.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 17424308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).