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

C25H22N2O4 — CID 8743510

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

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

N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 8743510) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID8743510
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C25H22N2O4/c1-15-8-10-18(12-16(15)2)26-23(28)21-13-17(9-11-22(21)31-3)14-27-24(29)19-6-4-5-7-20(19)25(27)30/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyDFAYBCRXSPEKHC-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'}

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Related Compounds

N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26686873
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 25360467
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 3986774
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55672408
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 8743510) is N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is DFAYBCRXSPEKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-15-8-10-18(12-16(15)2)26-23(28)21-13-17(9-11-22(21)31-3)14-27-24(29)19-6-4-5-7-20(19)25(27)30/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-(3,4-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-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 8743510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).