2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C25H22N2O5 — CID 24513787

IUPAC2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C)ccc4OC)cc3C2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-4-32-18-9-7-17(8-10-18)27-24(29)19-11-6-16(14-20(19)25(27)30)23(28)26-21-13-15(2)5-12-22(21)31-3/h5-14H,4H2,1-3H3,(H,26,28)
InChIKeyDJFCQYYMZYCAAY-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 24513787) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID24513787
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C)ccc4OC)cc3C2=O)cc1
InChIInChI=1S/C25H22N2O5/c1-4-32-18-9-7-17(8-10-18)27-24(29)19-11-6-16(14-20(19)25(27)30)23(28)26-21-13-15(2)5-12-22(21)31-3/h5-14H,4H2,1-3H3,(H,26,28)
InChIKeyDJFCQYYMZYCAAY-UHFFFAOYSA-N
XLogP4.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.46
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

N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26662314
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
2-(4-ethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26782849
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 867582
N-(3-acetamido-4-fluorophenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55532881
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-(3-aminopropyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119407220

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 24513787) is 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C)ccc4OC)cc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DJFCQYYMZYCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-4-32-18-9-7-17(8-10-18)27-24(29)19-11-6-16(14-20(19)25(27)30)23(28)26-21-13-15(2)5-12-22(21)31-3/h5-14H,4H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 24513787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).