2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide

C23H22N2O4 — CID 98162655

IUPAC2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide
SMILESO=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O4/c26-18(15-6-5-13-3-1-2-4-14(13)9-15)11-24-19(27)12-25-22(28)20-16-7-8-17(10-16)21(20)23(25)29/h1-9,16-18,20-21,26H,10-12H2,(H,24,27)/t16-,17-,18-,20-,21+/m0/s1
InChIKeyGTGIBXJRCDTKOI-OAGDOXAWSA-N
MW390.44 g/mol
LogP1.80
Rot. Bonds5

About 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide

2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide (PubChem CID 98162655) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide
PubChem CID98162655
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide
SMILESO=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O4/c26-18(15-6-5-13-3-1-2-4-14(13)9-15)11-24-19(27)12-25-22(28)20-16-7-8-17(10-16)21(20)23(25)29/h1-9,16-18,20-21,26H,10-12H2,(H,24,27)/t16-,17-,18-,20-,21+/m0/s1
InChIKeyGTGIBXJRCDTKOI-OAGDOXAWSA-N
XLogP1.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide 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 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide?
The IUPAC name of 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide (CID 98162655) is 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide is O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide?
The InChIKey is GTGIBXJRCDTKOI-OAGDOXAWSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-18(15-6-5-13-3-1-2-4-14(13)9-15)11-24-19(27)12-25-22(28)20-16-7-8-17(10-16)21(20)23(25)29/h1-9,16-18,20-21,26H,10-12H2,(H,24,27)/t16-,17-,18-,20-,21+/m0/s1.
What are the key properties of 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide?
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]acetamide is sourced from PubChem (CID 98162655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).