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

C24H20N2O5 — CID 2115361

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-7-5-6-16(13-17)25-22(27)20-12-15(10-11-21(20)31-2)14-26-23(28)18-8-3-4-9-19(18)24(26)29/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyWYZKSTKZWAQPQP-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.75
Rot. Bonds6

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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 2115361) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide
PubChem CID2115361
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-7-5-6-16(13-17)25-22(27)20-12-15(10-11-21(20)31-2)14-26-23(28)18-8-3-4-9-19(18)24(26)29/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyWYZKSTKZWAQPQP-UHFFFAOYSA-N
XLogP3.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide (CID 2115361) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is WYZKSTKZWAQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-30-17-7-5-6-16(13-17)25-22(27)20-12-15(10-11-21(20)31-2)14-26-23(28)18-8-3-4-9-19(18)24(26)29/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 416.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 2115361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).