4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate

C171H168N12O40 — CID 160677534

About 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate

4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate (PubChem CID 160677534) has the molecular formula C171H168N12O40 and a molecular weight of 3031.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate
• PubChem CID: 160677534
• Molecular Formula: C171H168N12O40
• Molecular Weight: 3031.27 g/mol
• Exact Mass: 3029.15
• IUPAC Name: 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate
• SMILES: C=C1CCC(N2C(=O)c3cccc(OCC(=O)N(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)N4CCCC4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)Nc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)OC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5O4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCN4CCCCC4)c3C2=O)C(=O)C1
• InChI: InChI=1S/C26H25NO4.C25H23NO5.C23H20N2O5.C22H26N2O4.C21H22N2O5.C19H20N2O5.C18H17NO6.C17H15NO6/c1-16-9-12-21(22(28)13-16)27-25(29)20-7-4-8-23(24(20)26(27)30)31-15-17-10-11-18-5-2-3-6-19(18)14-17;1-15-9-12-19(20(27)13-15)26-24(28)18-6-4-8-22(23(18)25(26)29)30-14-17-11-10-16-5-2-3-7-21(16)31-17;1-14-10-11-17(18(26)12-14)25-22(28)16-8-5-9-19(21(16)23(25)29)30-13-20(27)24-15-6-3-2-4-7-15;1-15-8-9-17(18(25)14-15)24-21(26)16-6-5-7-19(20(16)22(24)27)28-13-12-23-10-3-2-4-11-23;1-13-7-8-15(16(24)11-13)23-20(26)14-5-4-6-17(19(14)21(23)27)28-12-18(25)22-9-2-3-10-22;1-11-7-8-13(14(22)9-11)21-18(24)12-5-4-6-15(17(12)19(21)25)26-10-16(23)20(2)3;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-9-15(21)24-2;1-9-5-6-11(12(19)7-9)18-16(22)10-3-2-4-13(15(10)17(18)23)24-8-14(20)21/h2-8,17,21H,1,9-15H2;2-8,17,19H,1,9-14H2;2-9,17H,1,10-13H2,(H,24,27);5-7,17H,1-4,8-14H2;4-6,15H,1-3,7-12H2;4-6,13H,1,7-10H2,2-3H3;3-5,12H,1,6-9H2,2H3;2-4,11H,1,5-8H2,(H,20,21)
• InChIKey: RNSHQTJMAALQBD-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 655.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3031.27
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate?

The IUPAC name of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate (CID 160677534) is 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate.

What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate?

The canonical SMILES for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate is C=C1CCC(N2C(=O)c3cccc(OCC(=O)N(C)C)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)N4CCCC4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)Nc4ccccc4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)O)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC(=O)OC)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5C4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCC4CCc5ccccc5O4)c3C2=O)C(=O)C1.C=C1CCC(N2C(=O)c3cccc(OCCN4CCCCC4)c3C2=O)C(=O)C1.

What is the InChIKey of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate?

The InChIKey is RNSHQTJMAALQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4.C25H23NO5.C23H20N2O5.C22H26N2O4.C21H22N2O5.C19H20N2O5.C18H17NO6.C17H15NO6/c1-16-9-12-21(22(28)13-16)27-25(29)20-7-4-8-23(24(20)26(27)30)31-15-17-10-11-18-5-2-3-6-19(18)14-17;1-15-9-12-19(20(27)13-15)26-24(28)18-6-4-8-22(23(18)25(26)29)30-14-17-11-10-16-5-2-3-7-21(16)31-17;1-14-10-11-17(18(26)12-14)25-22(28)16-8-5-9-19(21(16)23(25)29)30-13-20(27)24-15-6-3-2-4-7-15;1-15-8-9-17(18(25)14-15)24-21(26)16-6-5-7-19(20(16)22(24)27)28-13-12-23-10-3-2-4-11-23;1-13-7-8-15(16(24)11-13)23-20(26)14-5-4-6-17(19(14)21(23)27)28-12-18(25)22-9-2-3-10-22;1-11-7-8-13(14(22)9-11)21-18(24)12-5-4-6-15(17(12)19(21)25)26-10-16(23)20(2)3;1-10-6-7-12(13(20)8-10)19-17(22)11-4-3-5-14(16(11)18(19)23)25-9-15(21)24-2;1-9-5-6-11(12(19)7-9)18-16(22)10-3-2-4-13(15(10)17(18)23)24-8-14(20)21/h2-8,17,21H,1,9-15H2;2-8,17,19H,1,9-14H2;2-9,17H,1,10-13H2,(H,24,27);5-7,17H,1-4,8-14H2;4-6,15H,1-3,7-12H2;4-6,13H,1,7-10H2,2-3H3;3-5,12H,1,6-9H2,2H3;2-4,11H,1,5-8H2,(H,20,21).

What are the key properties of 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate?

4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate has a molecular weight of 3031.27 g/mol, XLogP of 20.01, 34 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-2H-chromen-2-ylmethoxy)-2-(4-methylidene-2-oxocyclohexyl)isoindole-1,3-dione;N,N-dimethyl-2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetic acid;2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxy-N-phenylacetamide;2-(4-methylidene-2-oxocyclohexyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(2-piperidin-1-ylethoxy)isoindole-1,3-dione;2-(4-methylidene-2-oxocyclohexyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)isoindole-1,3-dione;methyl 2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]oxyacetate is sourced from PubChem (CID 160677534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).