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

C19H20N2O3 — CID 3239481

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h1-7,13-14,16-17H,8-11H2,(H,20,22)
InChIKeyJRCKSICHGNOIBW-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.15
Rot. Bonds5

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

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3239481) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID3239481
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h1-7,13-14,16-17H,8-11H2,(H,20,22)
InChIKeyJRCKSICHGNOIBW-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.15
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-phenylethyl)acetamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide (CID 3239481) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCc1ccccc1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is JRCKSICHGNOIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-15(20-9-8-12-4-2-1-3-5-12)11-21-18(23)16-13-6-7-14(10-13)17(16)19(21)24/h1-7,13-14,16-17H,8-11H2,(H,20,22).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.15, 5 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-phenylethyl)acetamide is sourced from PubChem (CID 3239481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).