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

C42H47BrN2O5 — CID 126260286

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

2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126260286) has the molecular formula C42H47BrN2O5 and a molecular weight of 739.75 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide
• PubChem CID: 126260286
• Molecular Formula: C42H47BrN2O5
• Molecular Weight: 739.75 g/mol
• Exact Mass: 738.27
• IUPAC Name: 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide
• SMILES: CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1cccc(C)c1
• InChI: InChI=1S/C42H47BrN2O5/c1-7-49-35-20-28(19-30(43)40(35)50-25-36(48)44-29-15-11-12-26(2)18-29)37-38-31(21-41(3,4)23-33(38)46)45(17-16-27-13-9-8-10-14-27)32-22-42(5,6)24-34(47)39(32)37/h8-15,18-20,37H,7,16-17,21-25H2,1-6H3,(H,44,48)
• InChIKey: CUINTNWTEOECCW-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.75
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126260286) is 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(=O)Nc1cccc(C)c1.

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

The InChIKey is CUINTNWTEOECCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47BrN2O5/c1-7-49-35-20-28(19-30(43)40(35)50-25-36(48)44-29-15-11-12-26(2)18-29)37-38-31(21-41(3,4)23-33(38)46)45(17-16-27-13-9-8-10-14-27)32-22-42(5,6)24-34(47)39(32)37/h8-15,18-20,37H,7,16-17,21-25H2,1-6H3,(H,44,48).

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

2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 739.75 g/mol, XLogP of 9.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126260286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).