2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide

C20H20N2O3 — CID 1332014

IUPAC2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-5-22-19(24)15-7-6-14(10-16(15)20(22)25)18(23)21-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyNMXWNZMGAUEZIY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.48
Rot. Bonds3

About 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide

2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide (PubChem CID 1332014) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
PubChem CID1332014
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C1=O
InChIInChI=1S/C20H20N2O3/c1-5-22-19(24)15-7-6-14(10-16(15)20(22)25)18(23)21-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,21,23)
InChIKeyNMXWNZMGAUEZIY-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The IUPAC name of 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide (CID 1332014) is 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C1=O.
What is the InChIKey of 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
The InChIKey is NMXWNZMGAUEZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-5-22-19(24)15-7-6-14(10-16(15)20(22)25)18(23)21-17-12(3)8-11(2)9-13(17)4/h6-10H,5H2,1-4H3,(H,21,23).
What are the key properties of 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide?
2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-carboxamide is sourced from PubChem (CID 1332014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).