N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C24H20N2O6 — CID 4304499

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OC)ccc4OC)cc3C2=O)cc1
InChIInChI=1S/C24H20N2O6/c1-30-16-7-5-15(6-8-16)26-23(28)18-10-4-14(12-19(18)24(26)29)22(27)25-20-13-17(31-2)9-11-21(20)32-3/h4-13H,1-3H3,(H,25,27)
InChIKeyDJHCAOSYSGDXOF-UHFFFAOYSA-N
MW432.43 g/mol
LogP3.77
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4304499) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID4304499
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OC)ccc4OC)cc3C2=O)cc1
InChIInChI=1S/C24H20N2O6/c1-30-16-7-5-15(6-8-16)26-23(28)18-10-4-14(12-19(18)24(26)29)22(27)25-20-13-17(31-2)9-11-21(20)32-3/h4-13H,1-3H3,(H,25,27)
InChIKeyDJHCAOSYSGDXOF-UHFFFAOYSA-N
XLogP3.77
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 4304499) is N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(OC)ccc4OC)cc3C2=O)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DJHCAOSYSGDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-30-16-7-5-15(6-8-16)26-23(28)18-10-4-14(12-19(18)24(26)29)22(27)25-20-13-17(31-2)9-11-21(20)32-3/h4-13H,1-3H3,(H,25,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4304499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).