4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide

C19H21N3O3 — CID 6735800

IUPAC4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)C3C4C=CC(CC4)C3C2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-21(2)14-9-7-13(8-10-14)17(23)20-22-18(24)15-11-3-4-12(6-5-11)16(15)19(22)25/h3-4,7-12,15-16H,5-6H2,1-2H3,(H,20,23)
InChIKeyUJFODFLQLYZDJC-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.59
Rot. Bonds3

About 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide

4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide (PubChem CID 6735800) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
PubChem CID6735800
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)C3C4C=CC(CC4)C3C2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-21(2)14-9-7-13(8-10-14)17(23)20-22-18(24)15-11-3-4-12(6-5-11)16(15)19(22)25/h3-4,7-12,15-16H,5-6H2,1-2H3,(H,20,23)
InChIKeyUJFODFLQLYZDJC-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 6735840
4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 827748
N-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methylbenzamide
CID 23306320
N-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methoxybenzamide
CID 98048902
(1R,2R,6S,7R)-4-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 22525494
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-bromo-N-[(2R,6S)-3,5-dioxo-4-azatetracyclo[5.4.2.02,6.08,10]tridec-12-en-4-yl]benzamide
CID 24999193
4-bromo-N-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 98119767
N-[(1S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-methoxybenzamide
CID 131841737
N-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-methoxybenzamide
CID 124724686
4-chloro-N-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 21174208
3-bromo-N-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7322958

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide (CID 6735800) is 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide is CN(C)c1ccc(C(=O)NN2C(=O)C3C4C=CC(CC4)C3C2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide?
The InChIKey is UJFODFLQLYZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)14-9-7-13(8-10-14)17(23)20-22-18(24)15-11-3-4-12(6-5-11)16(15)19(22)25/h3-4,7-12,15-16H,5-6H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide?
4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide is sourced from PubChem (CID 6735800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).