2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide

C21H24N2O3 — CID 3244972

IUPAC2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C1=O
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)19(15(3)11-13)22-20(24)17-7-5-6-16-12-23(8-9-26-4)21(25)18(16)17/h5-7,10-11H,8-9,12H2,1-4H3,(H,22,24)
InChIKeyLSLYBFIQZKWARP-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 3244972) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
PubChem CID3244972
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C1=O
InChIInChI=1S/C21H24N2O3/c1-13-10-14(2)19(15(3)11-13)22-20(24)17-7-5-6-16-12-23(8-9-26-4)21(25)18(16)17/h5-7,10-11H,8-9,12H2,1-4H3,(H,22,24)
InChIKeyLSLYBFIQZKWARP-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide (CID 3244972) is 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is LSLYBFIQZKWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-10-14(2)19(15(3)11-13)22-20(24)17-7-5-6-16-12-23(8-9-26-4)21(25)18(16)17/h5-7,10-11H,8-9,12H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3244972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).