[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

C20H26N4O6 — CID 8589186

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (PubChem CID 8589186) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
• PubChem CID: 8589186
• Molecular Formula: C20H26N4O6
• Molecular Weight: 418.45 g/mol
• Exact Mass: 418.19
• IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
• SMILES: CC(C)NC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O
• InChI: InChI=1S/C20H26N4O6/c1-13(2)21-18(28)22-15(25)12-30-16(26)11-24-17(27)20(3,23-19(24)29)10-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,23,29)(H2,21,22,25,28)/t20-/m0/s1
• InChIKey: RDSZWNYJGJTGKA-FQEVSTJZSA-N
• XLogP: 0.71
• TPSA: 133.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.45
LogP ≤ 5	0.71
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-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?

The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (CID 8589186) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.

What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?

The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is CC(C)NC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O.

What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?

The InChIKey is RDSZWNYJGJTGKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-13(2)21-18(28)22-15(25)12-30-16(26)11-24-17(27)20(3,23-19(24)29)10-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,23,29)(H2,21,22,25,28)/t20-/m0/s1.

What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate has a molecular weight of 418.45 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 8589186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).