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

C27H23N3O6 — CID 55814705

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

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (PubChem CID 55814705) has the molecular formula C27H23N3O6 and a molecular weight of 485.50 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
• PubChem CID: 55814705
• Molecular Formula: C27H23N3O6
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.16
• IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
• SMILES: COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1cccc(N2CCOC2=O)c1
• InChI: InChI=1S/C27H23N3O6/c1-35-23-10-9-18(16-30-25(32)20-7-2-3-8-21(20)26(30)33)14-22(23)24(31)28-15-17-5-4-6-19(13-17)29-11-12-36-27(29)34/h2-10,13-14H,11-12,15-16H2,1H3,(H,28,31)
• InChIKey: NPNQPOHRTXSDID-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?

The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide (CID 55814705) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide.

What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?

The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCc1cccc(N2CCOC2=O)c1.

What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?

The InChIKey is NPNQPOHRTXSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6/c1-35-23-10-9-18(16-30-25(32)20-7-2-3-8-21(20)26(30)33)14-22(23)24(31)28-15-17-5-4-6-19(13-17)29-11-12-36-27(29)34/h2-10,13-14H,11-12,15-16H2,1H3,(H,28,31).

What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide?

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide has a molecular weight of 485.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55814705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).