2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C25H22N2O5 — CID 26659419

IUPAC2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NCc4cccc(OC)c4)cc3C2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-3-32-19-10-8-18(9-11-19)27-24(29)21-12-7-17(14-22(21)25(27)30)23(28)26-15-16-5-4-6-20(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyPZKVJAYXMGFVJV-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.82
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26659419) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID26659419
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)NCc4cccc(OC)c4)cc3C2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-3-32-19-10-8-18(9-11-19)27-24(29)21-12-7-17(14-22(21)25(27)30)23(28)26-15-16-5-4-6-20(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,28)
InChIKeyPZKVJAYXMGFVJV-UHFFFAOYSA-N
XLogP3.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55784326
N-(3-aminopropyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119407220
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17171662
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 24513787
N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26662314
2-(4-ethoxyphenyl)-1,3-dioxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 27741644

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 26659419) is 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)NCc4cccc(OC)c4)cc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PZKVJAYXMGFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-3-32-19-10-8-18(9-11-19)27-24(29)21-12-7-17(14-22(21)25(27)30)23(28)26-15-16-5-4-6-20(13-16)31-2/h4-14H,3,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26659419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).