2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane

C80H72N4O12 — CID 158062740

About 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane

2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane (PubChem CID 158062740) has the molecular formula C80H72N4O12 and a molecular weight of 1281.47 g/mol. Its IUPAC name is 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane.

Molecular Properties

• Compound Name: 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane
• PubChem CID: 158062740
• Molecular Formula: C80H72N4O12
• Molecular Weight: 1281.47 g/mol
• Exact Mass: 1280.51
• IUPAC Name: 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane
• SMILES: C.C.CNC(=O)c1cc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3)cc2)ccc1C=O.CNC(=O)c1cc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)c4)C5=O)cc3)cc2)ccc1C=O
• InChI: InChI=1S/2C39H32N2O6.2CH4/c1-24-5-12-28(13-6-24)41-37(44)33-20-19-32(22-35(33)38(41)45)47-30-17-10-27(11-18-30)39(2,3)26-8-15-29(16-9-26)46-31-14-7-25(23-42)34(21-31)36(43)40-4;1-24-6-5-7-28(20-24)41-37(44)33-19-18-32(22-35(33)38(41)45)47-30-16-11-27(12-17-30)39(2,3)26-9-14-29(15-10-26)46-31-13-8-25(23-42)34(21-31)36(43)40-4;;/h2*5-23H,1-4H3,(H,40,43);2*1H4
• InChIKey: FKVPMBWTHWJDHI-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 204.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1281.47
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane?

The IUPAC name of 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane (CID 158062740) is 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane.

What is the SMILES notation for 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane?

The canonical SMILES for 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane is C.C.CNC(=O)c1cc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(C)cc4)C5=O)cc3)cc2)ccc1C=O.CNC(=O)c1cc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C)c4)C5=O)cc3)cc2)ccc1C=O.

What is the InChIKey of 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane?

The InChIKey is FKVPMBWTHWJDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H32N2O6.2CH4/c1-24-5-12-28(13-6-24)41-37(44)33-20-19-32(22-35(33)38(41)45)47-30-17-10-27(11-18-30)39(2,3)26-8-15-29(16-9-26)46-31-14-7-25(23-42)34(21-31)36(43)40-4;1-24-6-5-7-28(20-24)41-37(44)33-19-18-32(22-35(33)38(41)45)47-30-16-11-27(12-17-30)39(2,3)26-9-14-29(15-10-26)46-31-13-8-25(23-42)34(21-31)36(43)40-4;;/h2*5-23H,1-4H3,(H,40,43);2*1H4.

What are the key properties of 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane?

2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane has a molecular weight of 1281.47 g/mol, XLogP of 17.03, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-formyl-N-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;2-formyl-N-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]benzamide;methane is sourced from PubChem (CID 158062740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).