ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C32H38FN3O6 — CID 143528401

About ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 143528401) has the molecular formula C32H38FN3O6 and a molecular weight of 579.67 g/mol. Its IUPAC name is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 143528401
• Molecular Formula: C32H38FN3O6
• Molecular Weight: 579.67 g/mol
• Exact Mass: 579.27
• IUPAC Name: ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: CC.Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCCOCCO)cc3)C2=O)c(F)c1
• InChI: InChI=1S/C30H32FN3O6.C2H6/c1-19-8-13-25(24(31)18-19)32-28(36)27(20(2)21-6-4-3-5-7-21)34-29(37)26(33-30(34)38)22-9-11-23(12-10-22)40-17-16-39-15-14-35;1-2/h3-13,18,20,26-27,35H,14-17H2,1-2H3,(H,32,36)(H,33,38);1-2H3/t20?,26-,27?;/m1./s1
• InChIKey: UUUXLDSWDRDRHS-ZHKIQSBESA-N
• XLogP: 4.95
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.67
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 143528401) is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

What is the SMILES notation for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The canonical SMILES for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is CC.Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCCOCCO)cc3)C2=O)c(F)c1.

What is the InChIKey of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The InChIKey is UUUXLDSWDRDRHS-ZHKIQSBESA-N. The full InChI is InChI=1S/C30H32FN3O6.C2H6/c1-19-8-13-25(24(31)18-19)32-28(36)27(20(2)21-6-4-3-5-7-21)34-29(37)26(33-30(34)38)22-9-11-23(12-10-22)40-17-16-39-15-14-35;1-2/h3-13,18,20,26-27,35H,14-17H2,1-2H3,(H,32,36)(H,33,38);1-2H3/t20?,26-,27?;/m1./s1.

What are the key properties of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 579.67 g/mol, XLogP of 4.95, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 143528401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).