2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

C18H16N2O4 — CID 969138

IUPAC2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C18H16N2O4/c1-11-7-8-15(12(2)9-11)24-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyKPHGHVBKOFCERJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.01
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 969138) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID969138
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C18H16N2O4/c1-11-7-8-15(12(2)9-11)24-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyKPHGHVBKOFCERJ-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)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-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide (CID 969138) is 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is KPHGHVBKOFCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-7-8-15(12(2)9-11)24-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(20)23/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 969138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).