N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide

C24H22N2O3 — CID 3373501

IUPACN-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1C
InChIInChI=1S/C24H22N2O3/c1-13-6-9-18(10-14(13)2)25-22(27)17-4-3-5-19(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-10,12,15-16,20-21H,11H2,1-2H3,(H,25,27)
InChIKeyLLLMEOKZBBYXLI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.87
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide

N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide (PubChem CID 3373501) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
PubChem CID3373501
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1C
InChIInChI=1S/C24H22N2O3/c1-13-6-9-18(10-14(13)2)25-22(27)17-4-3-5-19(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-10,12,15-16,20-21H,11H2,1-2H3,(H,25,27)
InChIKeyLLLMEOKZBBYXLI-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide 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 N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide (CID 3373501) is N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide is Cc1ccc(NC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
The InChIKey is LLLMEOKZBBYXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-13-6-9-18(10-14(13)2)25-22(27)17-4-3-5-19(12-17)26-23(28)20-15-7-8-16(11-15)21(20)24(26)29/h3-10,12,15-16,20-21H,11H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide?
N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide is sourced from PubChem (CID 3373501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).