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

C40H43ClN2O5 — CID 126277737

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

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 126277737) has the molecular formula C40H43ClN2O5 and a molecular weight of 667.25 g/mol. Its IUPAC name is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
• PubChem CID: 126277737
• Molecular Formula: C40H43ClN2O5
• Molecular Weight: 667.25 g/mol
• Exact Mass: 666.29
• IUPAC Name: 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
• SMILES: CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1Cl
• InChI: InChI=1S/C40H43ClN2O5/c1-6-47-34-18-26(16-17-33(34)48-24-35(46)42-28-15-11-10-14-27(28)41)36-37-29(19-39(2,3)21-31(37)44)43(23-25-12-8-7-9-13-25)30-20-40(4,5)22-32(45)38(30)36/h7-18,36H,6,19-24H2,1-5H3,(H,42,46)
• InChIKey: VDQQZEYWPMVYHT-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.25
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide (CID 126277737) is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide.

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

The canonical SMILES for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)Nc1ccccc1Cl.

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

The InChIKey is VDQQZEYWPMVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43ClN2O5/c1-6-47-34-18-26(16-17-33(34)48-24-35(46)42-28-15-11-10-14-27(28)41)36-37-29(19-39(2,3)21-31(37)44)43(23-25-12-8-7-9-13-25)30-20-40(4,5)22-32(45)38(30)36/h7-18,36H,6,19-24H2,1-5H3,(H,42,46).

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

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 667.25 g/mol, XLogP of 8.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 126277737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).