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

C37H45ClN2O5 — CID 126269568

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

2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 126269568) has the molecular formula C37H45ClN2O5 and a molecular weight of 633.23 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
• PubChem CID: 126269568
• Molecular Formula: C37H45ClN2O5
• Molecular Weight: 633.23 g/mol
• Exact Mass: 632.30
• IUPAC Name: 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
• SMILES: CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1
• InChI: InChI=1S/C37H45ClN2O5/c1-9-40-26-16-36(5,6)18-28(41)33(26)32(34-27(40)17-37(7,8)19-29(34)42)23-14-25(38)35(30(15-23)44-10-2)45-20-31(43)39-24-12-11-21(3)22(4)13-24/h11-15,32H,9-10,16-20H2,1-8H3,(H,39,43)
• InChIKey: JAYHUXUNGWLBKO-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.23
LogP ≤ 5	8.08
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-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?

The IUPAC name of 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 126269568) is 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1.

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

The InChIKey is JAYHUXUNGWLBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45ClN2O5/c1-9-40-26-16-36(5,6)18-28(41)33(26)32(34-27(40)17-37(7,8)19-29(34)42)23-14-25(38)35(30(15-23)44-10-2)45-20-31(43)39-24-12-11-21(3)22(4)13-24/h11-15,32H,9-10,16-20H2,1-8H3,(H,39,43).

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

2-[2-chloro-6-ethoxy-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 633.23 g/mol, XLogP of 8.08, 8 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-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126269568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).