N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide

C31H33FN4O6 — CID 66585405

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 66585405) has the molecular formula C31H33FN4O6 and a molecular weight of 576.63 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide
• PubChem CID: 66585405
• Molecular Formula: C31H33FN4O6
• Molecular Weight: 576.63 g/mol
• Exact Mass: 576.24
• IUPAC Name: N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide
• SMILES: COc1ccc(CN2CC(=O)N(CCN3CCOCC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1
• InChI: InChI=1S/C31H33FN4O6/c1-40-28-11-4-23(20-35-21-29(37)36(31(35)39)13-12-34-14-16-41-17-15-34)18-27(28)30(38)33-19-22-2-7-25(8-3-22)42-26-9-5-24(32)6-10-26/h2-11,18H,12-17,19-21H2,1H3,(H,33,38)
• InChIKey: IIMQPJAXRRNZNF-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.63
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?

The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide (CID 66585405) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide.

What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?

The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide is COc1ccc(CN2CC(=O)N(CCN3CCOCC3)C2=O)cc1C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1.

What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?

The InChIKey is IIMQPJAXRRNZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O6/c1-40-28-11-4-23(20-35-21-29(37)36(31(35)39)13-12-34-14-16-41-17-15-34)18-27(28)30(38)33-19-22-2-7-25(8-3-22)42-26-9-5-24(32)6-10-26/h2-11,18H,12-17,19-21H2,1H3,(H,33,38).

What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide?

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 576.63 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 66585405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).