2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide

C24H22N2O3 — CID 4158496

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C24H22N2O3/c1-2-14-7-3-5-9-18(14)25-22(27)17-8-4-6-10-19(17)26-23(28)20-15-11-12-16(13-15)21(20)24(26)29/h3-12,15-16,20-21H,2,13H2,1H3,(H,25,27)
InChIKeyNWQUJZSEJQHILX-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.81
Rot. Bonds4

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide (PubChem CID 4158496) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide
PubChem CID4158496
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C24H22N2O3/c1-2-14-7-3-5-9-18(14)25-22(27)17-8-4-6-10-19(17)26-23(28)20-15-11-12-16(13-15)21(20)24(26)29/h3-12,15-16,20-21H,2,13H2,1H3,(H,25,27)
InChIKeyNWQUJZSEJQHILX-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide (CID 4158496) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccccc1N1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide?
The InChIKey is NWQUJZSEJQHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-2-14-7-3-5-9-18(14)25-22(27)17-8-4-6-10-19(17)26-23(28)20-15-11-12-16(13-15)21(20)24(26)29/h3-12,15-16,20-21H,2,13H2,1H3,(H,25,27).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 4158496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).