6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide

C46H53N3O6 — CID 158270852

About 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide

6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide (PubChem CID 158270852) has the molecular formula C46H53N3O6 and a molecular weight of 743.94 g/mol. Its IUPAC name is 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide.

Molecular Properties

• Compound Name: 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
• PubChem CID: 158270852
• Molecular Formula: C46H53N3O6
• Molecular Weight: 743.94 g/mol
• Exact Mass: 743.39
• IUPAC Name: 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
• SMILES: COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(NC(C)=O)ccc32)cc1C(C)C.COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(O)ccc32)cc1C(C)C
• InChI: InChI=1S/C24H28N2O3.C22H25NO3/c1-13(2)19-9-16(10-20(14(3)4)23(19)29-6)11-21-18-8-7-17(25-15(5)27)12-22(18)26-24(21)28;1-12(2)17-8-14(9-18(13(3)4)21(17)26-5)10-19-16-7-6-15(24)11-20(16)23-22(19)25/h7-14H,1-6H3,(H,25,27)(H,26,28);6-13,24H,1-5H3,(H,23,25)
• InChIKey: GIZWURMOLXDSNY-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 125.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.94
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide?

The IUPAC name of 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide (CID 158270852) is 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide.

What is the SMILES notation for 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide?

The canonical SMILES for 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide is COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(NC(C)=O)ccc32)cc1C(C)C.COc1c(C(C)C)cc(C=C2C(=O)Nc3cc(O)ccc32)cc1C(C)C.

What is the InChIKey of 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide?

The InChIKey is GIZWURMOLXDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3.C22H25NO3/c1-13(2)19-9-16(10-20(14(3)4)23(19)29-6)11-21-18-8-7-17(25-15(5)27)12-22(18)26-24(21)28;1-12(2)17-8-14(9-18(13(3)4)21(17)26-5)10-19-16-7-6-15(24)11-20(16)23-22(19)25/h7-14H,1-6H3,(H,25,27)(H,26,28);6-13,24H,1-5H3,(H,23,25).

What are the key properties of 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide?

6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide has a molecular weight of 743.94 g/mol, XLogP of 10.53, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one;N-[3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-oxo-1H-indol-6-yl]acetamide is sourced from PubChem (CID 158270852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).