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-(2,3-dimethylphenyl)acetamide

C41H45ClN2O4 — CID 126261810

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-(2,3-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-(2,3-dimethylphenyl)acetamide (PubChem CID 126261810) 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-(2,3-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-(2,3-dimethylphenyl)acetamide
• PubChem CID: 126261810
• 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-(2,3-dimethylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c1C
• InChI: InChI=1S/C41H45ClN2O4/c1-25-11-10-14-30(26(25)2)43-36(47)24-48-35-16-15-28(19-29(35)42)37-38-31(20-40(3,4)22-33(38)45)44(18-17-27-12-8-7-9-13-27)32-21-41(5,6)23-34(46)39(32)37/h7-16,19,37H,17-18,20-24H2,1-6H3,(H,43,47)
• InChIKey: IFJIHNGNFRYHHB-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-(2,3-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-(2,3-dimethylphenyl)acetamide (CID 126261810) 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-(2,3-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-(2,3-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-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2Cl)c1C.

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-(2,3-dimethylphenyl)acetamide?

The InChIKey is IFJIHNGNFRYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45ClN2O4/c1-25-11-10-14-30(26(25)2)43-36(47)24-48-35-16-15-28(19-29(35)42)37-38-31(20-40(3,4)22-33(38)45)44(18-17-27-12-8-7-9-13-27)32-21-41(5,6)23-34(46)39(32)37/h7-16,19,37H,17-18,20-24H2,1-6H3,(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-(2,3-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-(2,3-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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 126261810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).