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

C36H43BrN2O4 — CID 126266515

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

2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 126266515) has the molecular formula C36H43BrN2O4 and a molecular weight of 647.65 g/mol. Its IUPAC name is 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 126266515
• Molecular Formula: C36H43BrN2O4
• Molecular Weight: 647.65 g/mol
• Exact Mass: 646.24
• IUPAC Name: 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
• SMILES: CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C36H43BrN2O4/c1-8-13-39-26-16-35(4,5)18-28(40)33(26)32(34-27(39)17-36(6,7)19-29(34)41)24-15-23(37)11-12-30(24)43-20-31(42)38-25-14-21(2)9-10-22(25)3/h9-12,14-15,32H,8,13,16-20H2,1-7H3,(H,38,42)
• InChIKey: PASWVUXTTSIPGM-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.65
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide (CID 126266515) is 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is PASWVUXTTSIPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43BrN2O4/c1-8-13-39-26-16-35(4,5)18-28(40)33(26)32(34-27(39)17-36(6,7)19-29(34)41)24-15-23(37)11-12-30(24)43-20-31(42)38-25-14-21(2)9-10-22(25)3/h9-12,14-15,32H,8,13,16-20H2,1-7H3,(H,38,42).

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

2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 647.65 g/mol, XLogP of 8.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 126266515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).