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

C41H46N2O4 — CID 126262444

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

N-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (PubChem CID 126262444) has the molecular formula C41H46N2O4 and a molecular weight of 630.83 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-[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-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• PubChem CID: 126262444
• Molecular Formula: C41H46N2O4
• Molecular Weight: 630.83 g/mol
• Exact Mass: 630.35
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
• SMILES: Cc1cccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1C
• InChI: InChI=1S/C41H46N2O4/c1-26-13-12-17-30(27(26)2)42-36(46)25-47-35-18-11-10-16-29(35)37-38-31(21-40(3,4)23-33(38)44)43(20-19-28-14-8-7-9-15-28)32-22-41(5,6)24-34(45)39(32)37/h7-18,37H,19-25H2,1-6H3,(H,42,46)
• InChIKey: KQBJAPSSRVGKOP-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-(2,3-dimethylphenyl)-2-[2-[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-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (CID 126262444) is N-(2,3-dimethylphenyl)-2-[2-[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-(2,3-dimethylphenyl)-2-[2-[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-(2,3-dimethylphenyl)-2-[2-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is Cc1cccc(NC(=O)COc2ccccc2C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)c1C.

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

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

N-(2,3-dimethylphenyl)-2-[2-[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-(2,3-dimethylphenyl)-2-[2-[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 126262444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).