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

C19H20N2O3 — CID 15997824

IUPAC2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)20-18(22)16-5-3-4-14-12-21(10-11-24-2)19(23)17(14)16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyACMSQWRHKQLRHL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.85
Rot. Bonds5

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

2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 15997824) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID15997824
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)20-18(22)16-5-3-4-14-12-21(10-11-24-2)19(23)17(14)16/h3-9H,10-12H2,1-2H3,(H,20,22)
InChIKeyACMSQWRHKQLRHL-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide 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-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 15997824) is 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is ACMSQWRHKQLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)20-18(22)16-5-3-4-14-12-21(10-11-24-2)19(23)17(14)16/h3-9H,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15997824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).