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

C34H38Cl2N2O4 — CID 126265361

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

2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126265361) has the molecular formula C34H38Cl2N2O4 and a molecular weight of 609.59 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
• PubChem CID: 126265361
• Molecular Formula: C34H38Cl2N2O4
• Molecular Weight: 609.59 g/mol
• Exact Mass: 608.22
• IUPAC Name: 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
• SMILES: CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C34H38Cl2N2O4/c1-7-38-24-14-33(3,4)16-26(39)30(24)29(31-25(38)15-34(5,6)17-27(31)40)20-12-22(35)32(23(36)13-20)42-18-28(41)37-21-10-8-9-19(2)11-21/h8-13,29H,7,14-18H2,1-6H3,(H,37,41)
• InChIKey: XCOBBJRDOMKRHJ-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.59
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide (CID 126265361) is 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is XCOBBJRDOMKRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N2O4/c1-7-38-24-14-33(3,4)16-26(39)30(24)29(31-25(38)15-34(5,6)17-27(31)40)20-12-22(35)32(23(36)13-20)42-18-28(41)37-21-10-8-9-19(2)11-21/h8-13,29H,7,14-18H2,1-6H3,(H,37,41).

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

2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 609.59 g/mol, XLogP of 8.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126265361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).