5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide

C25H22N2O4 — CID 7916782

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)14-26-23(28)21-13-18(11-12-22(21)31-2)15-27-24(29)19-5-3-4-6-20(19)25(27)30/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyCFYBJBGQJFALMV-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.73
Rot. Bonds6

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7916782) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7916782
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)14-26-23(28)21-13-18(11-12-22(21)31-2)15-27-24(29)19-5-3-4-6-20(19)25(27)30/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyCFYBJBGQJFALMV-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.73
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-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(5-ethylthiophen-2-yl)methyl]-2-methoxybenzamide
CID 46475624
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55814705
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 41365655
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 7916782) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is CFYBJBGQJFALMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-7-9-17(10-8-16)14-26-23(28)21-13-18(11-12-22(21)31-2)15-27-24(29)19-5-3-4-6-20(19)25(27)30/h3-13H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7916782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).