2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide

C24H25N3O4 — CID 154835274

IUPAC2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)C1CCCC1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O
InChIInChI=1S/C24H25N3O4/c1-13-7-8-14(2)20(11-13)27-23(30)16-10-9-15(12-18(16)24(27)31)21(28)26-19-6-4-5-17(19)22(29)25-3/h7-12,17,19H,4-6H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHQHVUPGPWWLZFF-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.75
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 154835274) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID154835274
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(=O)C1CCCC1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O
InChIInChI=1S/C24H25N3O4/c1-13-7-8-14(2)20(11-13)27-23(30)16-10-9-15(12-18(16)24(27)31)21(28)26-19-6-4-5-17(19)22(29)25-3/h7-12,17,19H,4-6H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHQHVUPGPWWLZFF-UHFFFAOYSA-N
XLogP2.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide (CID 154835274) is 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide is CNC(=O)C1CCCC1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HQHVUPGPWWLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-13-7-8-14(2)20(11-13)27-23(30)16-10-9-15(12-18(16)24(27)31)21(28)26-19-6-4-5-17(19)22(29)25-3/h7-12,17,19H,4-6H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-(methylcarbamoyl)cyclopentyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 154835274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).