1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate

C21H20N2O4 — CID 78759598

IUPAC1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14(15-7-3-2-4-8-15)27-18(24)13-23-19(25)21(22-20(23)26)12-11-16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyJHKZYGYWFSZXEK-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.68
Rot. Bonds4

About 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate

1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate (PubChem CID 78759598) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate.

Molecular Properties

Compound Name1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
PubChem CID78759598
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
SMILESCC(OC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14(15-7-3-2-4-8-15)27-18(24)13-23-19(25)21(22-20(23)26)12-11-16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,26)
InChIKeyJHKZYGYWFSZXEK-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587973
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587969
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587944
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587849
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 41218827
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-phenylethyl)acetamide
CID 118957812
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
CID 24685423

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The IUPAC name of 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate (CID 78759598) is 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate.
What is the SMILES notation for 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The canonical SMILES for 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate is CC(OC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O)c1ccccc1.
What is the InChIKey of 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The InChIKey is JHKZYGYWFSZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(15-7-3-2-4-8-15)27-18(24)13-23-19(25)21(22-20(23)26)12-11-16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H,22,26).
What are the key properties of 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate has a molecular weight of 364.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate is sourced from PubChem (CID 78759598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).