2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid

C18H24N2O6 — CID 68618799

IUPAC2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C18H24N2O6/c1-18(2,3)10-13(16(23)24)20-15(22)14(19-17(20)25)11-4-6-12(7-5-11)26-9-8-21/h4-7,13-14,21H,8-10H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyJOTVFMGVRQFOJF-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.54
Rot. Bonds7

About 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid

2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid (PubChem CID 68618799) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid
PubChem CID68618799
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(C(=O)O)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C18H24N2O6/c1-18(2,3)10-13(16(23)24)20-15(22)14(19-17(20)25)11-4-6-12(7-5-11)26-9-8-21/h4-7,13-14,21H,8-10H2,1-3H3,(H,19,25)(H,23,24)
InChIKeyJOTVFMGVRQFOJF-UHFFFAOYSA-N
XLogP1.54
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528362
ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
CID 143528349
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148105
3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 68618919
N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
CID 140518937
N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide
CID 68618480
(3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)-3-phenylbutanamide
CID 71080775
N-(4-cyano-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-methylbutanamide
CID 68620449
ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(1,3-thiazol-4-yl)propanamide
CID 143528477
(5R)-3-[(2S)-1-(6-bromo-1H-benzimidazol-2-yl)-2-phenylpropyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
CID 71031735
(2R,3S)-N-(4-ethynyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 87654596
2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
CID 72995063

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid (CID 68618799) is 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(C(=O)O)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O.
What is the InChIKey of 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid?
The InChIKey is JOTVFMGVRQFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-18(2,3)10-13(16(23)24)20-15(22)14(19-17(20)25)11-4-6-12(7-5-11)26-9-8-21/h4-7,13-14,21H,8-10H2,1-3H3,(H,19,25)(H,23,24).
What are the key properties of 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid?
2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid has a molecular weight of 364.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 68618799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).