ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate

C14H16N2O4 — CID 20833917

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)C1(C)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-11(17)10(9-7-5-4-6-8-9)14(2)12(18)15-13(19)16-14/h4-8,10H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyFKKUSCMJHIKZPV-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.93
Rot. Bonds4

About ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate (PubChem CID 20833917) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate
PubChem CID20833917
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)C1(C)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-11(17)10(9-7-5-4-6-8-9)14(2)12(18)15-13(19)16-14/h4-8,10H,3H2,1-2H3,(H2,15,16,18,19)
InChIKeyFKKUSCMJHIKZPV-UHFFFAOYSA-N
XLogP0.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-(2-methyl-1,3-dioxolan-2-yl)-2-phenylacetate
CID 86338343
5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 3083607
[(2S,3S)-1-ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl]azanium
CID 7321538
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
(3R)-4-ethoxy-4-oxo-3-phenylbutanoic acid
CID 2276730
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-amino-3-chloro-3-phenylpropanoate
CID 14423202
ethyl (2R)-2-amino-3-chloro-3-phenylpropanoate
CID 54155299
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate (CID 20833917) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)C1(C)NC(=O)NC1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate?
The InChIKey is FKKUSCMJHIKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-11(17)10(9-7-5-4-6-8-9)14(2)12(18)15-13(19)16-14/h4-8,10H,3H2,1-2H3,(H2,15,16,18,19).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate has a molecular weight of 276.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-phenylacetate is sourced from PubChem (CID 20833917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).