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

C30H34FN3O5 — CID 143528349

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

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide (PubChem CID 143528349) has the molecular formula C30H34FN3O5 and a molecular weight of 535.62 g/mol. Its IUPAC name is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide.

Molecular Properties

• Compound Name: ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
• PubChem CID: 143528349
• Molecular Formula: C30H34FN3O5
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.25
• IUPAC Name: ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
• SMILES: CC.Cc1ccc(NC(=O)C(CCc2ccccc2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(F)c1
• InChI: InChI=1S/C28H28FN3O5.C2H6/c1-18-7-13-23(22(29)17-18)30-26(34)24(14-8-19-5-3-2-4-6-19)32-27(35)25(31-28(32)36)20-9-11-21(12-10-20)37-16-15-33;1-2/h2-7,9-13,17,24-25,33H,8,14-16H2,1H3,(H,30,34)(H,31,36);1-2H3/t24?,25-;/m1./s1
• InChIKey: CERCPVICMJOUMY-HYSHBGFUSA-N
• XLogP: 4.76
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
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 ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide?

The IUPAC name of ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide (CID 143528349) is ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide.

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

The canonical SMILES for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide is CC.Cc1ccc(NC(=O)C(CCc2ccccc2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)c(F)c1.

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

The InChIKey is CERCPVICMJOUMY-HYSHBGFUSA-N. The full InChI is InChI=1S/C28H28FN3O5.C2H6/c1-18-7-13-23(22(29)17-18)30-26(34)24(14-8-19-5-3-2-4-6-19)32-27(35)25(31-28(32)36)20-9-11-21(12-10-20)37-16-15-33;1-2/h2-7,9-13,17,24-25,33H,8,14-16H2,1H3,(H,30,34)(H,31,36);1-2H3/t24?,25-;/m1./s1.

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

ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide has a molecular weight of 535.62 g/mol, XLogP of 4.76, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide is sourced from PubChem (CID 143528349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).