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

C26H24N2O4 — CID 55784326

IUPAC2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1
InChIInChI=1S/C26H24N2O4/c1-4-32-20-7-5-6-18(13-20)15-27-24(29)19-10-11-21-22(14-19)26(31)28(25(21)30)23-12-16(2)8-9-17(23)3/h5-14H,4,15H2,1-3H3,(H,27,29)
InChIKeyZABUYDONCQQSQA-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.43
Rot. Bonds6

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

2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55784326) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55784326
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1
InChIInChI=1S/C26H24N2O4/c1-4-32-20-7-5-6-18(13-20)15-27-24(29)19-10-11-21-22(14-19)26(31)28(25(21)30)23-12-16(2)8-9-17(23)3/h5-14H,4,15H2,1-3H3,(H,27,29)
InChIKeyZABUYDONCQQSQA-UHFFFAOYSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]benzoic acid
CID 108767656
N-[(3-chlorophenyl)methyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9401718
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 3405367
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 55784326) is 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCOc1cccc(CNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZABUYDONCQQSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-4-32-20-7-5-6-18(13-20)15-27-24(29)19-10-11-21-22(14-19)26(31)28(25(21)30)23-12-16(2)8-9-17(23)3/h5-14H,4,15H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55784326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).