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

C37H45ClN2O5 — CID 126270180

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

2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126270180) has the molecular formula C37H45ClN2O5 and a molecular weight of 633.23 g/mol. Its IUPAC name is 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
• PubChem CID: 126270180
• Molecular Formula: C37H45ClN2O5
• Molecular Weight: 633.23 g/mol
• Exact Mass: 632.30
• IUPAC Name: 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
• SMILES: CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C37H45ClN2O5/c1-8-13-40-26-17-36(4,5)19-28(41)33(26)32(34-27(40)18-37(6,7)20-29(34)42)23-15-25(38)35(30(16-23)44-9-2)45-21-31(43)39-24-12-10-11-22(3)14-24/h10-12,14-16,32H,8-9,13,17-21H2,1-7H3,(H,39,43)
• InChIKey: JCKMGRPILXUROQ-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.23
LogP ≤ 5	8.16
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-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide (CID 126270180) is 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is JCKMGRPILXUROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45ClN2O5/c1-8-13-40-26-17-36(4,5)19-28(41)33(26)32(34-27(40)18-37(6,7)20-29(34)42)23-15-25(38)35(30(16-23)44-9-2)45-21-31(43)39-24-12-10-11-22(3)14-24/h10-12,14-16,32H,8-9,13,17-21H2,1-7H3,(H,39,43).

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

2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 633.23 g/mol, XLogP of 8.16, 9 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-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126270180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).