2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C71H72N6O9 — CID 161306298

About 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 161306298) has the molecular formula C71H72N6O9 and a molecular weight of 1153.39 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

• Compound Name: 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
• PubChem CID: 161306298
• Molecular Formula: C71H72N6O9
• Molecular Weight: 1153.39 g/mol
• Exact Mass: 1152.54
• IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
• SMILES: CC1(C)OC(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)O1.CC1(C)OC(=O)CC(=O)O1.CNC(=O)CC(c1ccccc1)c1c[nH]c2ccccc12.CNCCC(c1ccccc1)c1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C21H19NO4.C18H18N2O.C18H20N2.C8H7N.C6H8O4/c1-21(2)25-19(23)18(20(24)26-21)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16;1-19-18(21)11-15(13-7-3-2-4-8-13)16-12-20-17-10-6-5-9-14(16)17;1-19-12-11-15(14-7-3-2-4-8-14)17-13-20-18-10-6-5-9-16(17)18;1-2-4-8-7(3-1)5-6-9-8;1-6(2)9-4(7)3-5(8)10-6/h3-12,17-18,22H,1-2H3;2-10,12,15,20H,11H2,1H3,(H,19,21);2-10,13,15,19-20H,11-12H2,1H3;1-6,9H;3H2,1-2H3
• InChIKey: VIHDHPLCFGVTEM-UHFFFAOYSA-N
• XLogP: 13.48
• TPSA: 209.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.39
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?

The IUPAC name of 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 161306298) is 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

What is the SMILES notation for 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?

The canonical SMILES for 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)O1.CC1(C)OC(=O)CC(=O)O1.CNC(=O)CC(c1ccccc1)c1c[nH]c2ccccc12.CNCCC(c1ccccc1)c1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.

What is the InChIKey of 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?

The InChIKey is VIHDHPLCFGVTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4.C18H18N2O.C18H20N2.C8H7N.C6H8O4/c1-21(2)25-19(23)18(20(24)26-21)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16;1-19-18(21)11-15(13-7-3-2-4-8-13)16-12-20-17-10-6-5-9-14(16)17;1-19-12-11-15(14-7-3-2-4-8-14)17-13-20-18-10-6-5-9-16(17)18;1-2-4-8-7(3-1)5-6-9-8;1-6(2)9-4(7)3-5(8)10-6/h3-12,17-18,22H,1-2H3;2-10,12,15,20H,11H2,1H3,(H,19,21);2-10,13,15,19-20H,11-12H2,1H3;1-6,9H;3H2,1-2H3.

What are the key properties of 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?

2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 1153.39 g/mol, XLogP of 13.48, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 161306298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).