ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate

C17H22N2O4 — CID 95242706

IUPACethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](C(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-23-14(20)11-19-16(21)15(12(2)3)18(17(19)22)10-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/t15-/m1/s1
InChIKeyYRXJDDBNZSCNIS-OAHLLOKOSA-N
MW318.37 g/mol
LogP2.04
Rot. Bonds6

About ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate

ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate (PubChem CID 95242706) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
PubChem CID95242706
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)[C@@H](C(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-23-14(20)11-19-16(21)15(12(2)3)18(17(19)22)10-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/t15-/m1/s1
InChIKeyYRXJDDBNZSCNIS-OAHLLOKOSA-N
XLogP2.04
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670
ethyl 2-[3-oxo-1-(2-phenoxyacetyl)-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetate
CID 90771332
benzyl 1-benzyl-3-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 71768437
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate
CID 46249361
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
[(3R,4R)-4-benzoyloxy-1-(2-ethoxy-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 1020607
ethyl (1S,6S)-2,4-dibenzyl-3,5-dioxo-7-phenyl-2,4-diazabicyclo[4.1.0]heptane-7-carboxylate
CID 101042936
methyl 2-[3-benzyl-5-(2-methylpropyl)-2,4-dioxoimidazolidin-1-yl]acetate
CID 142133689
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 78881064
(2S)-2-[(4R)-1,3-dibenzyl-5-ethoxycarbonyl-6-methyl-2-oxo-4H-pyrimidin-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11763238
ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate (CID 95242706) is ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)[C@@H](C(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate?
The InChIKey is YRXJDDBNZSCNIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-23-14(20)11-19-16(21)15(12(2)3)18(17(19)22)10-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate?
ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate has a molecular weight of 318.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate is sourced from PubChem (CID 95242706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).