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

C31H36FN3O6 — CID 143528394

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

2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane (PubChem CID 143528394) has the molecular formula C31H36FN3O6 and a molecular weight of 565.64 g/mol. Its IUPAC name is 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane.

Molecular Properties

• Compound Name: 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
• PubChem CID: 143528394
• Molecular Formula: C31H36FN3O6
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.26
• IUPAC Name: 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
• SMILES: CC.Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OC(CO)CO)cc3)C2=O)c(F)c1
• InChI: InChI=1S/C29H30FN3O6.C2H6/c1-17-8-13-24(23(30)14-17)31-27(36)26(18(2)19-6-4-3-5-7-19)33-28(37)25(32-29(33)38)20-9-11-21(12-10-20)39-22(15-34)16-35;1-2/h3-14,18,22,25-26,34-35H,15-16H2,1-2H3,(H,31,36)(H,32,38);1-2H3/t18?,25-,26?;/m1./s1
• InChIKey: PHKNBLGOKWXYDC-CUOIKZHSSA-N
• XLogP: 4.30
• TPSA: 128.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane (CID 143528394) is 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane.

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

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

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

The InChIKey is PHKNBLGOKWXYDC-CUOIKZHSSA-N. The full InChI is InChI=1S/C29H30FN3O6.C2H6/c1-17-8-13-24(23(30)14-17)31-27(36)26(18(2)19-6-4-3-5-7-19)33-28(37)25(32-29(33)38)20-9-11-21(12-10-20)39-22(15-34)16-35;1-2/h3-14,18,22,25-26,34-35H,15-16H2,1-2H3,(H,31,36)(H,32,38);1-2H3/t18?,25-,26?;/m1./s1.

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

2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane has a molecular weight of 565.64 g/mol, XLogP of 4.30, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-[4-(1,3-dihydroxypropan-2-yloxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane is sourced from PubChem (CID 143528394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).