2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C17H18F3N3O4 — CID 30094410

About 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 30094410) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
• PubChem CID: 30094410
• Molecular Formula: C17H18F3N3O4
• Molecular Weight: 385.34 g/mol
• Exact Mass: 385.12
• IUPAC Name: 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
• SMILES: C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)(F)F)C1=O
• InChI: InChI=1S/C17H18F3N3O4/c1-16(11-6-7-11)14(25)23(15(26)22-16)9-13(24)21-8-10-4-2-3-5-12(10)27-17(18,19)20/h2-5,11H,6-9H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
• InChIKey: ZKKCMGRACZGQDT-MRXNPFEDSA-N
• XLogP: 1.92
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.34
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?

The IUPAC name of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 30094410) is 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?

The canonical SMILES for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccccc2OC(F)(F)F)C1=O.

What is the InChIKey of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?

The InChIKey is ZKKCMGRACZGQDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-16(11-6-7-11)14(25)23(15(26)22-16)9-13(24)21-8-10-4-2-3-5-12(10)27-17(18,19)20/h2-5,11H,6-9H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1.

What are the key properties of 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 385.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 30094410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).