N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

C25H22N2O4 — CID 2117890

IUPACN-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C25H22N2O4/c1-15-8-10-21(16(2)12-15)26-23(28)20-13-17(9-11-22(20)31-3)14-27-24(29)18-6-4-5-7-19(18)25(27)30/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyWTGHBOKFRUBUNC-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.36
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 2117890) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID2117890
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C25H22N2O4/c1-15-8-10-21(16(2)12-15)26-23(28)20-13-17(9-11-22(20)31-3)14-27-24(29)18-6-4-5-7-19(18)25(27)30/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyWTGHBOKFRUBUNC-UHFFFAOYSA-N
XLogP4.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 2117890) is N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is WTGHBOKFRUBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-15-8-10-21(16(2)12-15)26-23(28)20-13-17(9-11-22(20)31-3)14-27-24(29)18-6-4-5-7-19(18)25(27)30/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 414.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 2117890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).