2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C22H18N2O4 — CID 4596269

IUPAC2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)c(C)c1
InChIInChI=1S/C22H18N2O4/c1-13-5-8-19(14(2)10-13)24-21(26)17-7-6-15(11-18(17)22(24)27)20(25)23-12-16-4-3-9-28-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyOEIUDXMGFGKYLX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.63
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 4596269) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID4596269
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)c(C)c1
InChIInChI=1S/C22H18N2O4/c1-13-5-8-19(14(2)10-13)24-21(26)17-7-6-15(11-18(17)22(24)27)20(25)23-12-16-4-3-9-28-16/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyOEIUDXMGFGKYLX-UHFFFAOYSA-N
XLogP3.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-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-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2634273
2-(2,5-dimethylphenyl)-N,N-bis(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 112767046
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
5-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 1036032
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
methyl 2-[[[2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767524
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
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2204091

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 4596269) is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)NCc4ccco4)cc3C2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is OEIUDXMGFGKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-5-8-19(14(2)10-13)24-21(26)17-7-6-15(11-18(17)22(24)27)20(25)23-12-16-4-3-9-28-16/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 4596269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).