methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate

C23H25N3O7 — CID 16549652

About methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate (PubChem CID 16549652) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

• Compound Name: methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
• PubChem CID: 16549652
• Molecular Formula: C23H25N3O7
• Molecular Weight: 455.47 g/mol
• Exact Mass: 455.17
• IUPAC Name: methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate
• SMILES: CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O
• InChI: InChI=1S/C23H25N3O7/c1-5-23(14-9-7-6-8-10-14)21(29)26(22(30)25-23)13-19(27)24-16-12-18(32-3)17(31-2)11-15(16)20(28)33-4/h6-12H,5,13H2,1-4H3,(H,24,27)(H,25,30)
• InChIKey: NEFYMNAEXXEEDQ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.47
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate?

The IUPAC name of methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate (CID 16549652) is methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate.

What is the SMILES notation for methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate?

The canonical SMILES for methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O.

What is the InChIKey of methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate?

The InChIKey is NEFYMNAEXXEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-5-23(14-9-7-6-8-10-14)21(29)26(22(30)25-23)13-19(27)24-16-12-18(32-3)17(31-2)11-15(16)20(28)33-4/h6-12H,5,13H2,1-4H3,(H,24,27)(H,25,30).

What are the key properties of methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate?

methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 455.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 16549652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).