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

C35H41ClN2O5 — CID 126229963

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

2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126229963) has the molecular formula C35H41ClN2O5 and a molecular weight of 605.18 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
• PubChem CID: 126229963
• Molecular Formula: C35H41ClN2O5
• Molecular Weight: 605.18 g/mol
• Exact Mass: 604.27
• IUPAC Name: 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
• SMILES: CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1
• InChI: InChI=1S/C35H41ClN2O5/c1-8-42-28-14-21(13-23(36)33(28)43-19-29(41)37-22-11-9-20(2)10-12-22)30-31-24(15-34(3,4)17-26(31)39)38(7)25-16-35(5,6)18-27(40)32(25)30/h9-14,30H,8,15-19H2,1-7H3,(H,37,41)
• InChIKey: HJKJKIUOROTCSM-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.18
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide (CID 126229963) is 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1.

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

The InChIKey is HJKJKIUOROTCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClN2O5/c1-8-42-28-14-21(13-23(36)33(28)43-19-29(41)37-22-11-9-20(2)10-12-22)30-31-24(15-34(3,4)17-26(31)39)38(7)25-16-35(5,6)18-27(40)32(25)30/h9-14,30H,8,15-19H2,1-7H3,(H,37,41).

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

2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 605.18 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-6-ethoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126229963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).