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

C41H45ClN2O4 — CID 126273169

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

2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126273169) has the molecular formula C41H45ClN2O4 and a molecular weight of 665.27 g/mol. Its IUPAC name is 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
• PubChem CID: 126273169
• Molecular Formula: C41H45ClN2O4
• Molecular Weight: 665.27 g/mol
• Exact Mass: 664.31
• IUPAC Name: 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c(C)c1
• InChI: InChI=1S/C41H45ClN2O4/c1-25-12-14-30(26(2)18-25)43-36(47)24-48-35-15-13-28(19-29(35)42)37-38-31(20-40(3,4)22-33(38)45)44(17-16-27-10-8-7-9-11-27)32-21-41(5,6)23-34(46)39(32)37/h7-15,18-19,37H,16-17,20-24H2,1-6H3,(H,43,47)
• InChIKey: ZVSJHOIJSWTQPR-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.27
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126273169) is 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c(C)c1.

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

The InChIKey is ZVSJHOIJSWTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45ClN2O4/c1-25-12-14-30(26(2)18-25)43-36(47)24-48-35-15-13-28(19-29(35)42)37-38-31(20-40(3,4)22-33(38)45)44(17-16-27-10-8-7-9-11-27)32-21-41(5,6)23-34(46)39(32)37/h7-15,18-19,37H,16-17,20-24H2,1-6H3,(H,43,47).

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

2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 665.27 g/mol, XLogP of 8.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126273169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).