2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide

C34H39IN2O5 — CID 126274553

About 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide

2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide (PubChem CID 126274553) has the molecular formula C34H39IN2O5 and a molecular weight of 682.60 g/mol. Its IUPAC name is 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
• PubChem CID: 126274553
• Molecular Formula: C34H39IN2O5
• Molecular Weight: 682.60 g/mol
• Exact Mass: 682.19
• IUPAC Name: 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
• SMILES: CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C34H39IN2O5/c1-7-37-23-15-33(2,3)17-25(38)30(23)29(31-24(37)16-34(4,5)18-26(31)39)20-13-22(35)32(27(14-20)41-6)42-19-28(40)36-21-11-9-8-10-12-21/h8-14,29H,7,15-19H2,1-6H3,(H,36,40)
• InChIKey: ZLRWJWICCHCMGQ-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.60
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?

The IUPAC name of 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide (CID 126274553) is 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide.

What is the SMILES notation for 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?

The canonical SMILES for 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C2=C1CC(C)(C)CC2=O.

What is the InChIKey of 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?

The InChIKey is ZLRWJWICCHCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39IN2O5/c1-7-37-23-15-33(2,3)17-25(38)30(23)29(31-24(37)16-34(4,5)18-26(31)39)20-13-22(35)32(27(14-20)41-6)42-19-28(40)36-21-11-9-8-10-12-21/h8-14,29H,7,15-19H2,1-6H3,(H,36,40).

What are the key properties of 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide?

2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 682.60 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 126274553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).