N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide

C32H35IN2O5 — CID 126269992

About N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide

N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide (PubChem CID 126269992) has the molecular formula C32H35IN2O5 and a molecular weight of 654.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide
• PubChem CID: 126269992
• Molecular Formula: C32H35IN2O5
• Molecular Weight: 654.55 g/mol
• Exact Mass: 654.16
• IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide
• SMILES: CCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)C2=C1CCCC2=O
• InChI: InChI=1S/C32H35IN2O5/c1-5-35-23-8-6-10-25(36)30(23)29(31-24(35)9-7-11-26(31)37)20-15-22(33)32(27(16-20)39-4)40-17-28(38)34-21-13-12-18(2)19(3)14-21/h12-16,29H,5-11,17H2,1-4H3,(H,34,38)
• InChIKey: OLSVXNCGXZOWOF-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.55
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide?

The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide (CID 126269992) is N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide is CCN1C2=C(C(=O)CCC2)C(c2cc(I)c(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)C2=C1CCCC2=O.

What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide?

The InChIKey is OLSVXNCGXZOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35IN2O5/c1-5-35-23-8-6-10-25(36)30(23)29(31-24(35)9-7-11-26(31)37)20-15-22(33)32(27(16-20)39-4)40-17-28(38)34-21-13-12-18(2)19(3)14-21/h12-16,29H,5-11,17H2,1-4H3,(H,34,38).

What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide?

N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide has a molecular weight of 654.55 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 126269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).