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

C16H19N3O3 — CID 5182693

IUPAC2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C16H19N3O3/c1-2-9-17-13(20)10-19-14(21)16(18-15(19)22)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyZZAHYSRLDUOQQL-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.91
Rot. Bonds4

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

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide (PubChem CID 5182693) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
PubChem CID5182693
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C16H19N3O3/c1-2-9-17-13(20)10-19-14(21)16(18-15(19)22)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,22)
InChIKeyZZAHYSRLDUOQQL-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.91
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-(2-ethylhexyl)acetamide
CID 4786865
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447377
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 94199430
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-(2-phenylethyl)acetamide
CID 18074180
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-phenylpropyl)acetamide
CID 4810193
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4204330
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide (CID 5182693) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide is CCCNC(=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-propylacetamide?
The InChIKey is ZZAHYSRLDUOQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-9-17-13(20)10-19-14(21)16(18-15(19)22)8-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide?
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide has a molecular weight of 301.35 g/mol, XLogP of 0.91, 4 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-propylacetamide is sourced from PubChem (CID 5182693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).