Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate

C₂₄H₂₄N₂O₅ — CID 55560326

About Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate

Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55560326) has the molecular formula C₂₄H₂₄N₂O₅ and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate
• PubChem CID: 55560326
• Molecular Formula: C₂₄H₂₄N₂O₅
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.17
• IUPAC Name: methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate
• SMILES: COC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CCCC1
• InChI: InChI=1S/C24H24N2O5/c1-14-6-7-15(2)19(12-14)26-21(28)17-9-8-16(13-18(17)22(26)29)20(27)25-24(23(30)31-3)10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27)
• InChIKey: MHEXTGNUDFYBCX-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?

The IUPAC name of Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate (CID 55560326) is methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate.

What is the SMILES notation for Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?

The canonical SMILES for Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CCCC1.

What is the InChIKey of Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?

The InChIKey is MHEXTGNUDFYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-14-6-7-15(2)19(12-14)26-21(28)17-9-8-16(13-18(17)22(26)29)20(27)25-24(23(30)31-3)10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,25,27).

What are the key properties of Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate?

Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 1-[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55560326 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.