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

C36H42Br2N2O4 — CID 126277267

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

2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126277267) has the molecular formula C36H42Br2N2O4 and a molecular weight of 726.55 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
• PubChem CID: 126277267
• Molecular Formula: C36H42Br2N2O4
• Molecular Weight: 726.55 g/mol
• Exact Mass: 724.15
• IUPAC Name: 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
• SMILES: CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C36H42Br2N2O4/c1-8-11-40-26-15-35(4,5)17-28(41)32(26)31(33-27(40)16-36(6,7)18-29(33)42)22-13-23(37)34(24(38)14-22)44-19-30(43)39-25-10-9-20(2)12-21(25)3/h9-10,12-14,31H,8,11,15-19H2,1-7H3,(H,39,43)
• InChIKey: JSKKIUOJWBSYJO-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.55
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide?

The IUPAC name of 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126277267) is 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is JSKKIUOJWBSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42Br2N2O4/c1-8-11-40-26-15-35(4,5)17-28(41)32(26)31(33-27(40)16-36(6,7)18-29(33)42)22-13-23(37)34(24(38)14-22)44-19-30(43)39-25-10-9-20(2)12-21(25)3/h9-10,12-14,31H,8,11,15-19H2,1-7H3,(H,39,43).

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

2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 726.55 g/mol, XLogP of 8.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126277267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).