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

C24H20N2O4 — CID 7945607

IUPACN-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H20N2O4/c1-30-21-12-11-17(13-20(21)22(27)25-14-16-7-3-2-4-8-16)15-26-23(28)18-9-5-6-10-19(18)24(26)29/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHXSVXSJHFRUGCK-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.42
Rot. Bonds6

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

N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 7945607) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID7945607
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H20N2O4/c1-30-21-12-11-17(13-20(21)22(27)25-14-16-7-3-2-4-8-16)15-26-23(28)18-9-5-6-10-19(18)24(26)29/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyHXSVXSJHFRUGCK-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.42
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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
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
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 41365655
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-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
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
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 7945607) is N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is HXSVXSJHFRUGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-30-21-12-11-17(13-20(21)22(27)25-14-16-7-3-2-4-8-16)15-26-23(28)18-9-5-6-10-19(18)24(26)29/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 400.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 7945607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).