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

C20H22N2O3 — CID 3243421

IUPACN-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-13-6-4-9-17(14(13)2)21-19(23)16-8-5-7-15-12-22(10-11-25-3)20(24)18(15)16/h4-9H,10-12H2,1-3H3,(H,21,23)
InChIKeySYPKCBONPLZGFK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3243421) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3243421
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-13-6-4-9-17(14(13)2)21-19(23)16-8-5-7-15-12-22(10-11-25-3)20(24)18(15)16/h4-9H,10-12H2,1-3H3,(H,21,23)
InChIKeySYPKCBONPLZGFK-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 3243421) is N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is SYPKCBONPLZGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-4-9-17(14(13)2)21-19(23)16-8-5-7-15-12-22(10-11-25-3)20(24)18(15)16/h4-9H,10-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3243421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).