butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate

C18H22N2O4 — CID 24685423

IUPACbutyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
SMILESCCCCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C18H22N2O4/c1-2-3-11-24-15(21)12-20-16(22)18(19-17(20)23)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,2-3,6,8,10-12H2,1H3,(H,19,23)
InChIKeyYNPXFYBASHKXGO-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.11
Rot. Bonds5

About butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate

butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate (PubChem CID 24685423) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
PubChem CID24685423
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namebutyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate
SMILESCCCCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C18H22N2O4/c1-2-3-11-24-15(21)12-20-16(22)18(19-17(20)23)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,2-3,6,8,10-12H2,1H3,(H,19,23)
InChIKeyYNPXFYBASHKXGO-UHFFFAOYSA-N
XLogP2.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
[(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
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
[2-(4-ethylphenyl)-2-oxoethyl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587686
[2-(tert-butylamino)-2-oxoethyl] 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587722
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
CID 2633587
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2706180
propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate
CID 18275610
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
tert-butyl 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetate
CID 40857312

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The IUPAC name of butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate (CID 24685423) is butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate.
What is the SMILES notation for butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The canonical SMILES for butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate is CCCCOC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
The InChIKey is YNPXFYBASHKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-3-11-24-15(21)12-20-16(22)18(19-17(20)23)10-6-8-13-7-4-5-9-14(13)18/h4-5,7,9H,2-3,6,8,10-12H2,1H3,(H,19,23).
What are the key properties of butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate?
butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetate is sourced from PubChem (CID 24685423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).