2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

C18H16N2O4 — CID 2934880

IUPAC2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H16N2O4/c1-10-4-3-5-11(2)16(10)24-9-15(21)19-12-6-7-13-14(8-12)18(23)20-17(13)22/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyXOQYNKQCTUUFLF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.20
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 2934880) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID2934880
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H16N2O4/c1-10-4-3-5-11(2)16(10)24-9-15(21)19-12-6-7-13-14(8-12)18(23)20-17(13)22/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyXOQYNKQCTUUFLF-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 2934880) is 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is XOQYNKQCTUUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10-4-3-5-11(2)16(10)24-9-15(21)19-12-6-7-13-14(8-12)18(23)20-17(13)22/h3-8H,9H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 2934880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).