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

C40H44N2O4 — CID 126276248

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

2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126276248) has the molecular formula C40H44N2O4 and a molecular weight of 616.80 g/mol. Its IUPAC name is 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 126276248
• Molecular Formula: C40H44N2O4
• Molecular Weight: 616.80 g/mol
• Exact Mass: 616.33
• IUPAC Name: 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• SMILES: Cc1ccc(C)c(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(Cc4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2)c1
• InChI: InChI=1S/C40H44N2O4/c1-25-15-16-26(2)30(17-25)41-35(45)24-46-29-14-10-13-28(18-29)36-37-31(19-39(3,4)21-33(37)43)42(23-27-11-8-7-9-12-27)32-20-40(5,6)22-34(44)38(32)36/h7-18,36H,19-24H2,1-6H3,(H,41,45)
• InChIKey: BYGJKHBDTIKJNW-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.80
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 126276248) is 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(Cc4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2)c1.

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

The InChIKey is BYGJKHBDTIKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44N2O4/c1-25-15-16-26(2)30(17-25)41-35(45)24-46-29-14-10-13-28(18-29)36-37-31(19-39(3,4)21-33(37)43)42(23-27-11-8-7-9-12-27)32-20-40(5,6)22-34(44)38(32)36/h7-18,36H,19-24H2,1-6H3,(H,41,45).

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

2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 616.80 g/mol, XLogP of 8.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126276248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).