2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide

C21H29N3O3 — CID 4786865

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-5-8-15(4-2)13-22-18(25)14-24-19(26)21(23-20(24)27)12-11-16-9-6-7-10-17(16)21/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyMBEITYRWTSYJEU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.71
Rot. Bonds8

About 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide (PubChem CID 4786865) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide
PubChem CID4786865
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-5-8-15(4-2)13-22-18(25)14-24-19(26)21(23-20(24)27)12-11-16-9-6-7-10-17(16)21/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyMBEITYRWTSYJEU-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
[(1S)-2-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2532591
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112763887
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2706180
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447377
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 7519242
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide (CID 4786865) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide?
The InChIKey is MBEITYRWTSYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-5-8-15(4-2)13-22-18(25)14-24-19(26)21(23-20(24)27)12-11-16-9-6-7-10-17(16)21/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethylhexyl)acetamide is sourced from PubChem (CID 4786865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).