[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate

C16H20N2O5 — CID 21238567

IUPAC[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
SMILESCC1(C)NC(=O)N(CC(O)COC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O5/c1-16(2)14(21)18(15(22)17-16)9-12(19)10-23-13(20)8-11-6-4-3-5-7-11/h3-7,12,19H,8-10H2,1-2H3,(H,17,22)
InChIKeyISNQONXZWYVZGW-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.46
Rot. Bonds6

About [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate

[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate (PubChem CID 21238567) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate.

Molecular Properties

Compound Name[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
PubChem CID21238567
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate
SMILESCC1(C)NC(=O)N(CC(O)COC(=O)Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O5/c1-16(2)14(21)18(15(22)17-16)9-12(19)10-23-13(20)8-11-6-4-3-5-7-11/h3-7,12,19H,8-10H2,1-2H3,(H,17,22)
InChIKeyISNQONXZWYVZGW-UHFFFAOYSA-N
XLogP0.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate
CID 21238579
3-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 742840
3-[(2S)-3-[3-[(2S)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-2-oxobenzimidazol-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 40593052
3-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 750544
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
3-(2-amino-4-phenylbutyl)-5,5-dimethylimidazolidine-2,4-dione;ethane
CID 142089489
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
3-[(2S)-2-(hydroxyamino)-3-phenoxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 101178069
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
1,3,5-tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 5086374
3-[(2S)-3-[4-[2-[4-[(2R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92853467

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate?
The IUPAC name of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate (CID 21238567) is [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate.
What is the SMILES notation for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate?
The canonical SMILES for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate is CC1(C)NC(=O)N(CC(O)COC(=O)Cc2ccccc2)C1=O.
What is the InChIKey of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate?
The InChIKey is ISNQONXZWYVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(2)14(21)18(15(22)17-16)9-12(19)10-23-13(20)8-11-6-4-3-5-7-11/h3-7,12,19H,8-10H2,1-2H3,(H,17,22).
What are the key properties of [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate?
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate has a molecular weight of 320.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-phenylacetate is sourced from PubChem (CID 21238567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).