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

C20H24N2O4 — CID 78770585

IUPAC(3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
SMILESCC1CCCC(OC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1
InChIInChI=1S/C20H24N2O4/c1-13-5-4-7-15(11-13)26-17(23)12-22-18(24)20(21-19(22)25)10-9-14-6-2-3-8-16(14)20/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,21,25)
InChIKeyCUPCHBHCUCUELE-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.50
Rot. Bonds3

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

(3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate (PubChem CID 78770585) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
PubChem CID78770585
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
SMILESCC1CCCC(OC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1
InChIInChI=1S/C20H24N2O4/c1-13-5-4-7-15(11-13)26-17(23)12-22-18(24)20(21-19(22)25)10-9-14-6-2-3-8-16(14)20/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,21,25)
InChIKeyCUPCHBHCUCUELE-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.50
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

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
1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 78759598
N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
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
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
[(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
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
[(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

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The IUPAC name of (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate (CID 78770585) is (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The canonical SMILES for (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate is CC1CCCC(OC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
The InChIKey is CUPCHBHCUCUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-4-7-15(11-13)26-17(23)12-22-18(24)20(21-19(22)25)10-9-14-6-2-3-8-16(14)20/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,21,25).
What are the key properties of (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate?
(3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate has a molecular weight of 356.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate is sourced from PubChem (CID 78770585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).