2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide

C92H90N8O13 — CID 160738819

About 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 160738819) has the molecular formula C92H90N8O13 and a molecular weight of 1515.77 g/mol. Its IUPAC name is 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 160738819
• Molecular Formula: C92H90N8O13
• Molecular Weight: 1515.77 g/mol
• Exact Mass: 1514.66
• IUPAC Name: 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
• SMILES: C.CNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)c1cccc(C(C)(C)C)c1)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(C)c1C)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(C)c(C)c3)cc1C)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C)cc3)cc1)C2=O
• InChI: InChI=1S/C25H22N2O3.C23H18N2O4.C23H26N2O3.C20H20N2O3.CH4/c1-14-5-6-17(11-15(14)2)18-8-10-22(16(3)12-18)27-24(29)20-9-7-19(23(28)26-4)13-21(20)25(27)30;1-14-3-8-17(9-4-14)29-18-10-6-16(7-11-18)25-22(27)19-12-5-15(21(26)24-2)13-20(19)23(25)28;1-22(2,3)15-8-7-9-16(13-15)23(4,5)25-20(27)17-11-10-14(19(26)24-6)12-18(17)21(25)28;1-10-8-11(2)17(13(4)12(10)3)22-19(24)15-7-6-14(18(23)21-5)9-16(15)20(22)25;/h5-13H,1-4H3,(H,26,28);3-13H,1-2H3,(H,24,26);7-13H,1-6H3,(H,24,26);6-9H,1-5H3,(H,21,23);1H4
• InChIKey: RVHLWLRXKPNASD-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 275.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1515.77
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 160738819) is 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is C.CNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)c1cccc(C(C)(C)C)c1)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(C)c1C)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(C)c(C)c3)cc1C)C2=O.CNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C)cc3)cc1)C2=O.

What is the InChIKey of 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is RVHLWLRXKPNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3.C23H18N2O4.C23H26N2O3.C20H20N2O3.CH4/c1-14-5-6-17(11-15(14)2)18-8-10-22(16(3)12-18)27-24(29)20-9-7-19(23(28)26-4)13-21(20)25(27)30;1-14-3-8-17(9-4-14)29-18-10-6-16(7-11-18)25-22(27)19-12-5-15(21(26)24-2)13-20(19)23(25)28;1-22(2,3)15-8-7-9-16(13-15)23(4,5)25-20(27)17-11-10-14(19(26)24-6)12-18(17)21(25)28;1-10-8-11(2)17(13(4)12(10)3)22-19(24)15-7-6-14(18(23)21-5)9-16(15)20(22)25;/h5-13H,1-4H3,(H,26,28);3-13H,1-2H3,(H,24,26);7-13H,1-6H3,(H,24,26);6-9H,1-5H3,(H,21,23);1H4.

What are the key properties of 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide?

2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 1515.77 g/mol, XLogP of 15.98, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-tert-butylphenyl)propan-2-yl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;2-[4-(3,4-dimethylphenyl)-2-methylphenyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide;methane;N-methyl-1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindole-5-carboxamide;N-methyl-2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 160738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).