2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid

C28H36F3N5O5 — CID 11505181

About 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid

2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 11505181) has the molecular formula C28H36F3N5O5 and a molecular weight of 579.62 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 11505181
• Molecular Formula: C28H36F3N5O5
• Molecular Weight: 579.62 g/mol
• Exact Mass: 579.27
• IUPAC Name: 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC(C)(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H35N5O3.C2HF3O2/c1-17(2)20-9-8-19(14-21(20)29-22(32)15-28-25(3,4)5)31-23(33)26(6,7)30(24(31)34)16-18-10-12-27-13-11-18;3-2(4,5)1(6)7/h8-14,17,28H,15-16H2,1-7H3,(H,29,32);(H,6,7)
• InChIKey: RUVFENIDKUWGHE-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 131.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.62
LogP ≤ 5	4.91
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-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid (CID 11505181) is 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)cc1NC(=O)CNC(C)(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is RUVFENIDKUWGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.C2HF3O2/c1-17(2)20-9-8-19(14-21(20)29-22(32)15-28-25(3,4)5)31-23(33)26(6,7)30(24(31)34)16-18-10-12-27-13-11-18;3-2(4,5)1(6)7/h8-14,17,28H,15-16H2,1-7H3,(H,29,32);(H,6,7).

What are the key properties of 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid?

2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 579.62 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(tert-butylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-propan-2-ylphenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11505181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).