(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione

C35H28N4O7 — CID 161164052

IUPAC(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)OCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12.COCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C18H14N2O4.C17H14N2O3/c1-11(21)24-10-20-16(22)18(19-17(20)23)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18;1-22-10-19-15(20)17(18-16(19)21)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9H,10H2,1H3,(H,19,23);2-9H,10H2,1H3,(H,18,21)
InChIKeyUQHFWXFUTRFACZ-UHFFFAOYSA-N
MW616.63 g/mol
LogP4.05
Rot. Bonds4

About (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione

(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione (PubChem CID 161164052) has the molecular formula C35H28N4O7 and a molecular weight of 616.63 g/mol. Its IUPAC name is (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
PubChem CID161164052
Molecular FormulaC35H28N4O7
Molecular Weight616.63 g/mol
Exact Mass616.20
IUPAC Name(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)OCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12.COCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C18H14N2O4.C17H14N2O3/c1-11(21)24-10-20-16(22)18(19-17(20)23)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18;1-22-10-19-15(20)17(18-16(19)21)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9H,10H2,1H3,(H,19,23);2-9H,10H2,1H3,(H,18,21)
InChIKeyUQHFWXFUTRFACZ-UHFFFAOYSA-N
XLogP4.05
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.63
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]-2-oxoethyl]-trimethylazanium
CID 54027160
[2-oxo-3-(1-phenylethylidene)indol-1-yl]methyl acetate
CID 175276403
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 10257300
2-[4-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]piperazin-1-yl]ethyl acetate
CID 3785174
[1-(methoxymethyl)-2-oxo-3-(pentanoyloxymethyl)indol-3-yl]methyl pentanoate
CID 101139622
tert-butyl 2-(2,2',5'-trioxospiro[1H-indole-3,4'-imidazolidine]-1'-yl)acetate
CID 118958382
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
benzyl acetate
CID 8785
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 17402829
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
[(4S)-3,3-dimethyl-2-oxo-4-phenylazetidin-1-yl]methyl acetate
CID 10083311

Frequently Asked Questions

What is the IUPAC name of (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione (CID 161164052) is (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione is CC(=O)OCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12.COCN1C(=O)NC2(C1=O)c1ccccc1-c1ccccc12.
What is the InChIKey of (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
The InChIKey is UQHFWXFUTRFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4.C17H14N2O3/c1-11(21)24-10-20-16(22)18(19-17(20)23)14-8-4-2-6-12(14)13-7-3-5-9-15(13)18;1-22-10-19-15(20)17(18-16(19)21)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9H,10H2,1H3,(H,19,23);2-9H,10H2,1H3,(H,18,21).
What are the key properties of (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione?
(2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione has a molecular weight of 616.63 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2',5'-dioxospiro[fluorene-9,4'-imidazolidine]-1'-yl)methyl acetate;3'-(methoxymethyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 161164052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).