2-(diethylamino)-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 11606687

About 2-(diethylamino)-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-(diethylamino)-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 11606687) has the molecular formula C28H36F3N5O5 and a molecular weight of 579.62 g/mol. Its IUPAC name is 2-(diethylamino)-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-(diethylamino)-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: 11606687
• Molecular Formula: C28H36F3N5O5
• Molecular Weight: 579.62 g/mol
• Exact Mass: 579.27
• IUPAC Name: 2-(diethylamino)-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: CCN(CC)CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1C(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H35N5O3.C2HF3O2/c1-7-29(8-2)17-23(32)28-22-15-20(9-10-21(22)18(3)4)31-24(33)26(5,6)30(25(31)34)16-19-11-13-27-14-12-19;3-2(4,5)1(6)7/h9-15,18H,7-8,16-17H2,1-6H3,(H,28,32);(H,6,7)
• InChIKey: HADIRWKZFYPGPQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 123.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.62
LogP ≤ 5	4.87
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 2-(diethylamino)-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-(diethylamino)-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 11606687) is 2-(diethylamino)-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-(diethylamino)-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-(diethylamino)-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 CCN(CC)CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1C(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(diethylamino)-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 HADIRWKZFYPGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.C2HF3O2/c1-7-29(8-2)17-23(32)28-22-15-20(9-10-21(22)18(3)4)31-24(33)26(5,6)30(25(31)34)16-19-11-13-27-14-12-19;3-2(4,5)1(6)7/h9-15,18H,7-8,16-17H2,1-6H3,(H,28,32);(H,6,7).

What are the key properties of 2-(diethylamino)-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-(diethylamino)-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 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)-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 11606687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).