N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C23H26F3N3O3 — CID 56531093

About N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56531093) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 56531093
• Molecular Formula: C23H26F3N3O3
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.19
• IUPAC Name: N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CC(C)(C)CN(CC(F)(F)F)C(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
• InChI: InChI=1S/C23H26F3N3O3/c1-21(2,3)13-28(14-23(24,25)26)18(30)12-29-19(31)22(4,27-20(29)32)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12-14H2,1-4H3,(H,27,32)
• InChIKey: JVQYJGUZPRLGHA-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 56531093) is N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)CN(CC(F)(F)F)C(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O.

What is the InChIKey of N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is JVQYJGUZPRLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-21(2,3)13-28(14-23(24,25)26)18(30)12-29-19(31)22(4,27-20(29)32)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12-14H2,1-4H3,(H,27,32).

What are the key properties of N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?

N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 449.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethylpropyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56531093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).