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

C20H22N2O3 — CID 20855918

IUPAC2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-21-19(23)17-5-3-4-16-13-22(10-11-25-2)20(24)18(16)17/h3-9H,10-13H2,1-2H3,(H,21,23)
InChIKeyAHLHIKYNITUTEZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.53
Rot. Bonds6

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

2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 20855918) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID20855918
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-21-19(23)17-5-3-4-16-13-22(10-11-25-2)20(24)18(16)17/h3-9H,10-13H2,1-2H3,(H,21,23)
InChIKeyAHLHIKYNITUTEZ-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide (CID 20855918) is 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NCc3ccc(C)cc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is AHLHIKYNITUTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-8-15(9-7-14)12-21-19(23)17-5-3-4-16-13-22(10-11-25-2)20(24)18(16)17/h3-9H,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.53, 6 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)methyl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 20855918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).