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

C19H20N2O3 — CID 2876146

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-20(14-5-3-2-4-6-14)15(22)9-10-21-18(23)16-12-7-8-13(11-12)17(16)19(21)24/h2-8,12-13,16-17H,9-11H2,1H3
InChIKeyJDGSFNUOMLDATN-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.85
Rot. Bonds4

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

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide (PubChem CID 2876146) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide
PubChem CID2876146
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-20(14-5-3-2-4-6-14)15(22)9-10-21-18(23)16-12-7-8-13(11-12)17(16)19(21)24/h2-8,12-13,16-17H,9-11H2,1H3
InChIKeyJDGSFNUOMLDATN-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
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 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide (CID 2876146) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide is CN(C(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O)c1ccccc1.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide?
The InChIKey is JDGSFNUOMLDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20(14-5-3-2-4-6-14)15(22)9-10-21-18(23)16-12-7-8-13(11-12)17(16)19(21)24/h2-8,12-13,16-17H,9-11H2,1H3.
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 2876146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).