N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C29H30FN3O5 — CID 143528380

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

N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 143528380) has the molecular formula C29H30FN3O5 and a molecular weight of 519.57 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 143528380
• Molecular Formula: C29H30FN3O5
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.22
• IUPAC Name: N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCCCO)cc3)C2=O)c(F)c1
• InChI: InChI=1S/C29H30FN3O5/c1-18-9-14-24(23(30)17-18)31-27(35)26(19(2)20-7-4-3-5-8-20)33-28(36)25(32-29(33)37)21-10-12-22(13-11-21)38-16-6-15-34/h3-5,7-14,17,19,25-26,34H,6,15-16H2,1-2H3,(H,31,35)(H,32,37)/t19?,25-,26?/m1/s1
• InChIKey: SOVWGBRDNMJUOI-MMTWIKPJSA-N
• XLogP: 4.30
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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 N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 143528380) is N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

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

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

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

The InChIKey is SOVWGBRDNMJUOI-MMTWIKPJSA-N. The full InChI is InChI=1S/C29H30FN3O5/c1-18-9-14-24(23(30)17-18)31-27(35)26(19(2)20-7-4-3-5-8-20)33-28(36)25(32-29(33)37)21-10-12-22(13-11-21)38-16-6-15-34/h3-5,7-14,17,19,25-26,34H,6,15-16H2,1-2H3,(H,31,35)(H,32,37)/t19?,25-,26?/m1/s1.

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

N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 519.57 g/mol, XLogP of 4.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 143528380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).