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

C41H46N2O4 — CID 126269122

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

N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (PubChem CID 126269122) has the molecular formula C41H46N2O4 and a molecular weight of 630.83 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• PubChem CID: 126269122
• Molecular Formula: C41H46N2O4
• Molecular Weight: 630.83 g/mol
• Exact Mass: 630.35
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• SMILES: Cc1ccc(C)c(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2)c1
• InChI: InChI=1S/C41H46N2O4/c1-26-12-13-27(2)31(20-26)42-36(46)25-47-30-16-14-29(15-17-30)37-38-32(21-40(3,4)23-34(38)44)43(19-18-28-10-8-7-9-11-28)33-22-41(5,6)24-35(45)39(33)37/h7-17,20,37H,18-19,21-25H2,1-6H3,(H,42,46)
• InChIKey: KUYKXBSAUDZCNA-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.83
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (CID 126269122) is N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.

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

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is Cc1ccc(C)c(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CCc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2)c1.

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

The InChIKey is KUYKXBSAUDZCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N2O4/c1-26-12-13-27(2)31(20-26)42-36(46)25-47-30-16-14-29(15-17-30)37-38-32(21-40(3,4)23-34(38)44)43(19-18-28-10-8-7-9-11-28)33-22-41(5,6)24-35(45)39(33)37/h7-17,20,37H,18-19,21-25H2,1-6H3,(H,42,46).

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

N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide has a molecular weight of 630.83 g/mol, XLogP of 8.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is sourced from PubChem (CID 126269122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).