2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

C86H66N8O14 — CID 159580132

IUPAC2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3cccc(NC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)c3)C4=O)cc2)cc1
InChIInChI=1S/C39H28N4O7.C24H20N2O3.C23H18N2O4/c1-22-6-12-28(13-7-22)50-29-14-10-26(11-15-29)40-34(44)25-9-17-31-33(20-25)39(49)43(38(31)48)21-23-4-3-5-27(18-23)41-35(45)24-8-16-30-32(19-24)37(47)42(2)36(30)46;1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)25-22(27)18-9-12-20-21(14-18)24(29)26(2)23(20)28;1-14-3-8-17(9-4-14)29-18-10-6-16(7-11-18)24-21(26)15-5-12-19-20(13-15)23(28)25(2)22(19)27/h3-20H,21H2,1-2H3,(H,40,44)(H,41,45);3-12,14H,13H2,1-2H3,(H,25,27);3-13H,1-2H3,(H,24,26)
InChIKeyMIXIGTULAQJTHB-UHFFFAOYSA-N
MW1435.52 g/mol
LogP14.64
Rot. Bonds16

About 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide

2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 159580132) has the molecular formula C86H66N8O14 and a molecular weight of 1435.52 g/mol. Its IUPAC name is 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID159580132
Molecular FormulaC86H66N8O14
Molecular Weight1435.52 g/mol
Exact Mass1434.47
IUPAC Name2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3cccc(NC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)c3)C4=O)cc2)cc1
InChIInChI=1S/C39H28N4O7.C24H20N2O3.C23H18N2O4/c1-22-6-12-28(13-7-22)50-29-14-10-26(11-15-29)40-34(44)25-9-17-31-33(20-25)39(49)43(38(31)48)21-23-4-3-5-27(18-23)41-35(45)24-8-16-30-32(19-24)37(47)42(2)36(30)46;1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)25-22(27)18-9-12-20-21(14-18)24(29)26(2)23(20)28;1-14-3-8-17(9-4-14)29-18-10-6-16(7-11-18)24-21(26)15-5-12-19-20(13-15)23(28)25(2)22(19)27/h3-20H,21H2,1-2H3,(H,40,44)(H,41,45);3-12,14H,13H2,1-2H3,(H,25,27);3-13H,1-2H3,(H,24,26)
InChIKeyMIXIGTULAQJTHB-UHFFFAOYSA-N
XLogP14.64
TPSA284.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.52
LogP ≤ 514.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

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Related Compounds

3-[5-[2-[4-[4-[5-[2-(3-Cyanophenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]phenoxy]phenyl]-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-indan-2-yl]benzonitrile
CID 16129765
N,N'-Bis[4-(4-aminophenoxy)phenyl]pyromellitic diimide
CID 572520
6-Methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22943204
2-(3-methoxypropyl)-N-[4-(naphthalen-2-yloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 3694725
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
2-[4-(4-Aminophenoxy)phenyl]-5-[2-[2-[4-(4-aminophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 19914845
2-[4-[5-Tert-butyl-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 20679359
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20727118
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione
CID 20806757
2-Methyl-5-[1,2,2,2-tetrafluoro-1-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]ethyl]isoindole-1,3-dione
CID 22088872
5-[Difluoro-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]-2-methylisoindole-1,3-dione
CID 22974094
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56612456

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 159580132) is 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.Cc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3cccc(NC(=O)c5ccc6c(c5)C(=O)N(C)C6=O)c3)C4=O)cc2)cc1.
What is the InChIKey of 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MIXIGTULAQJTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4O7.C24H20N2O3.C23H18N2O4/c1-22-6-12-28(13-7-22)50-29-14-10-26(11-15-29)40-34(44)25-9-17-31-33(20-25)39(49)43(38(31)48)21-23-4-3-5-27(18-23)41-35(45)24-8-16-30-32(19-24)37(47)42(2)36(30)46;1-15-3-5-16(6-4-15)13-17-7-10-19(11-8-17)25-22(27)18-9-12-20-21(14-18)24(29)26(2)23(20)28;1-14-3-8-17(9-4-14)29-18-10-6-16(7-11-18)24-21(26)15-5-12-19-20(13-15)23(28)25(2)22(19)27/h3-20H,21H2,1-2H3,(H,40,44)(H,41,45);3-12,14H,13H2,1-2H3,(H,25,27);3-13H,1-2H3,(H,24,26).
What are the key properties of 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 1435.52 g/mol, XLogP of 14.64, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]methyl]-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;2-methyl-N-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 159580132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).