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

C37H46N2O5 — CID 126273682

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

N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126273682) has the molecular formula C37H46N2O5 and a molecular weight of 598.78 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• PubChem CID: 126273682
• Molecular Formula: C37H46N2O5
• Molecular Weight: 598.78 g/mol
• Exact Mass: 598.34
• IUPAC Name: N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
• SMILES: CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)C2=C1CC(C)(C)CC2=O
• InChI: InChI=1S/C37H46N2O5/c1-9-14-39-26-17-36(4,5)19-28(40)34(26)33(35-27(39)18-37(6,7)20-29(35)41)24-11-13-30(31(16-24)43-8)44-21-32(42)38-25-12-10-22(2)15-23(25)3/h10-13,15-16,33H,9,14,17-21H2,1-8H3,(H,38,42)
• InChIKey: NCBVXBORLMXSBR-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.78
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126273682) is N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

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

The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)C2=C1CC(C)(C)CC2=O.

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

The InChIKey is NCBVXBORLMXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N2O5/c1-9-14-39-26-17-36(4,5)19-28(40)34(26)33(35-27(39)18-37(6,7)20-29(35)41)24-11-13-30(31(16-24)43-8)44-21-32(42)38-25-12-10-22(2)15-23(25)3/h10-13,15-16,33H,9,14,17-21H2,1-8H3,(H,38,42).

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

N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 598.78 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126273682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).