2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

C18H18N2O3 — CID 46261885

IUPAC2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3cccc(OC)c3)c2C1=O
InChIInChI=1S/C18H18N2O3/c1-3-20-11-12-6-4-9-15(16(12)18(20)22)17(21)19-13-7-5-8-14(10-13)23-2/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyHEEQAHGMGDFYBR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.92
Rot. Bonds4

About 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide

2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 46261885) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID46261885
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN1Cc2cccc(C(=O)Nc3cccc(OC)c3)c2C1=O
InChIInChI=1S/C18H18N2O3/c1-3-20-11-12-6-4-9-15(16(12)18(20)22)17(21)19-13-7-5-8-14(10-13)23-2/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyHEEQAHGMGDFYBR-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(3-methoxyphenyl)-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

Related Compounds

2-ethyl-N-(3-fluoro-4-methylphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 46261895
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 15999116
2-(4-methoxyphenyl)-3-oxo-N-phenyl-1H-isoindole-4-carboxamide
CID 6619677
N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905905
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(2,5-difluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 46253865
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 46261885) is 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is CCN1Cc2cccc(C(=O)Nc3cccc(OC)c3)c2C1=O.
What is the InChIKey of 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is HEEQAHGMGDFYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-20-11-12-6-4-9-15(16(12)18(20)22)17(21)19-13-7-5-8-14(10-13)23-2/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46261885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).