[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C₂₃H₂₅N₃O₅ — CID 7685080

About [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7685080) has the molecular formula C₂₃H₂₅N₃O₅ and a molecular weight of 423.47 g/mol. Its IUPAC name is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
• PubChem CID: 7685080
• Molecular Formula: C₂₃H₂₅N₃O₅
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
• SMILES: CCc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C23H25N3O5/c1-4-16-10-12-18(13-11-16)24-20(28)15(2)31-19(27)14-26-21(29)23(3,25-22(26)30)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,28)(H,25,30)/t15-,23+/m1/s1
• InChIKey: PDVANMINKCSKGY-CMJOXMDJSA-N
• XLogP: 2.59
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The IUPAC name of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7685080) is [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

What is the SMILES notation for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The canonical SMILES for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CCc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.

What is the InChIKey of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The InChIKey is PDVANMINKCSKGY-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-4-16-10-12-18(13-11-16)24-20(28)15(2)31-19(27)14-26-21(29)23(3,25-22(26)30)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,28)(H,25,30)/t15-,23+/m1/s1.

What are the key properties of [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 423.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7685080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7685080 — identifiers, structure, computed properties (public domain)

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