2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C19H26FN3O4 — CID 8571368

IUPAC2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCOC(C)C)C1=O
InChIInChI=1S/C19H26FN3O4/c1-4-19(14-6-8-15(20)9-7-14)17(25)23(18(26)22-19)12-16(24)21-10-5-11-27-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyFXXYUUJHMFEMAG-LJQANCHMSA-N
MW379.43 g/mol
LogP1.91
Rot. Bonds9

About 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 8571368) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID8571368
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCOC(C)C)C1=O
InChIInChI=1S/C19H26FN3O4/c1-4-19(14-6-8-15(20)9-7-14)17(25)23(18(26)22-19)12-16(24)21-10-5-11-27-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyFXXYUUJHMFEMAG-LJQANCHMSA-N
XLogP1.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 8571368) is 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCCOC(C)C)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is FXXYUUJHMFEMAG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-4-19(14-6-8-15(20)9-7-14)17(25)23(18(26)22-19)12-16(24)21-10-5-11-27-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,26)/t19-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 379.43 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 8571368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).