[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C₂₃H₂₃N₃O₅ — CID 7708776

About [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708776) has the molecular formula C₂₃H₂₃N₃O₅ and a molecular weight of 421.45 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

• Compound Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
• PubChem CID: 7708776
• Molecular Formula: C₂₃H₂₃N₃O₅
• Molecular Weight: 421.45 g/mol
• Exact Mass: 421.16
• IUPAC Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
• SMILES: C[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)N1CCc2ccccc21
• InChI: InChI=1S/C23H23N3O5/c1-15(20(28)25-13-12-16-8-6-7-11-18(16)25)31-19(27)14-26-21(29)23(2,24-22(26)30)17-9-4-3-5-10-17/h3-11,15H,12-14H2,1-2H3,(H,24,30)/t15-,23-/m1/s1
• InChIKey: RECBZCRFAVTIMC-IQMFZBJNSA-N
• XLogP: 1.97
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.45
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
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-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The IUPAC name of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708776) is [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

What is the SMILES notation for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The canonical SMILES for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is C[C@@H](OC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)N1CCc2ccccc21.

What is the InChIKey of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

The InChIKey is RECBZCRFAVTIMC-IQMFZBJNSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15(20(28)25-13-12-16-8-6-7-11-18(16)25)31-19(27)14-26-21(29)23(2,24-22(26)30)17-9-4-3-5-10-17/h3-11,15H,12-14H2,1-2H3,(H,24,30)/t15-,23-/m1/s1.

What are the key properties of [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 421.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7708776 — identifiers, structure, computed properties (public domain)

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