3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide

C20H20N2O3 — CID 723292

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-3-14-8-6-7-13(2)18(14)21-17(23)11-12-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQXUYVGXKISEUMA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.18
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 723292) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID723292
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-3-14-8-6-7-13(2)18(14)21-17(23)11-12-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-10H,3,11-12H2,1-2H3,(H,21,23)
InChIKeyQXUYVGXKISEUMA-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide 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 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide (CID 723292) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is QXUYVGXKISEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-14-8-6-7-13(2)18(14)21-17(23)11-12-22-19(24)15-9-4-5-10-16(15)20(22)25/h4-10H,3,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 723292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).