N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide

C36H43IN2O5 — CID 126260259

About N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide

N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126260259) has the molecular formula C36H43IN2O5 and a molecular weight of 710.65 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• PubChem CID: 126260259
• Molecular Formula: C36H43IN2O5
• Molecular Weight: 710.65 g/mol
• Exact Mass: 710.22
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• SMILES: CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)Nc1cc(C)ccc1C
• InChI: InChI=1S/C36H43IN2O5/c1-9-43-29-14-22(13-23(37)34(29)44-19-30(42)38-24-12-20(2)10-11-21(24)3)31-32-25(15-35(4,5)17-27(32)40)39(8)26-16-36(6,7)18-28(41)33(26)31/h10-14,31H,9,15-19H2,1-8H3,(H,38,42)
• InChIKey: HOQCXJGICYPFLV-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.65
LogP ≤ 5	7.64
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 N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?

The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126260259) is N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCC(=O)Nc1cc(C)ccc1C.

What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?

The InChIKey is HOQCXJGICYPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43IN2O5/c1-9-43-29-14-22(13-23(37)34(29)44-19-30(42)38-24-12-20(2)10-11-21(24)3)31-32-25(15-35(4,5)17-27(32)40)39(8)26-16-36(6,7)18-28(41)33(26)31/h10-14,31H,9,15-19H2,1-8H3,(H,38,42).

What are the key properties of N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?

N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 710.65 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[2-ethoxy-6-iodo-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126260259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).