N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C27H34FN3O5 — CID 55442527

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 55442527) has the molecular formula C27H34FN3O5 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
• PubChem CID: 55442527
• Molecular Formula: C27H34FN3O5
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.25
• IUPAC Name: N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
• SMILES: CCCOc1ccc(CN(CCC)C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1OCC
• InChI: InChI=1S/C27H34FN3O5/c1-5-14-30(17-19-8-13-22(36-15-6-2)23(16-19)35-7-3)24(32)18-31-25(33)27(4,29-26(31)34)20-9-11-21(28)12-10-20/h8-13,16H,5-7,14-15,17-18H2,1-4H3,(H,29,34)
• InChIKey: KTECREQKODCXFC-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?

The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 55442527) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?

The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCOc1ccc(CN(CCC)C(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1OCC.

What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?

The InChIKey is KTECREQKODCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O5/c1-5-14-30(17-19-8-13-22(36-15-6-2)23(16-19)35-7-3)24(32)18-31-25(33)27(4,29-26(31)34)20-9-11-21(28)12-10-20/h8-13,16H,5-7,14-15,17-18H2,1-4H3,(H,29,34).

What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide?

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 499.58 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55442527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).