2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide

C24H25N3O6 — CID 4880290

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)cc2)cc1
InChIInChI=1S/C24H25N3O6/c1-2-32-18-11-13-20(14-12-18)33-19-9-7-16(8-10-19)25-21(28)15-26-22(29)23(30)27(24(26)31)17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,25,28)
InChIKeyNGGBYBPVUHVULF-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.55
Rot. Bonds8

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide (PubChem CID 4880290) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
PubChem CID4880290
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)cc2)cc1
InChIInChI=1S/C24H25N3O6/c1-2-32-18-11-13-20(14-12-18)33-19-9-7-16(8-10-19)25-21(28)15-26-22(29)23(30)27(24(26)31)17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,25,28)
InChIKeyNGGBYBPVUHVULF-UHFFFAOYSA-N
XLogP3.55
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534741
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166600511
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 2708354
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide (CID 4880290) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide is CCOc1ccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)cc2)cc1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide?
The InChIKey is NGGBYBPVUHVULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-2-32-18-11-13-20(14-12-18)33-19-9-7-16(8-10-19)25-21(28)15-26-22(29)23(30)27(24(26)31)17-5-3-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,25,28).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 4880290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).