(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C20H28N2O5 — CID 51317464

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)C1
InChIInChI=1S/C20H28N2O5/c1-12(2)14-8-7-13(3)10-15(14)27-17(23)11-22-18(24)20(4,21-19(22)25)16-6-5-9-26-16/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,21,25)
InChIKeyGUUPAMIBFONLGQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.05
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 51317464) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID51317464
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)C1
InChIInChI=1S/C20H28N2O5/c1-12(2)14-8-7-13(3)10-15(14)27-17(23)11-22-18(24)20(4,21-19(22)25)16-6-5-9-26-16/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,21,25)
InChIKeyGUUPAMIBFONLGQ-UHFFFAOYSA-N
XLogP3.05
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate 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

5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
(5-methyl-2-propan-2-ylcyclohexyl) 2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3119381
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
5-(furan-2-yl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazolidine-2,4-dione
CID 111476351
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 7416630
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
5-(furan-2-yl)-5-methyl-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]imidazolidine-2,4-dione
CID 103071810
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate
CID 101189458
3-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 25400559
(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylpiperidin-1-yl)acetate
CID 3221410

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 51317464) is (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CC1CCC(C(C)C)C(OC(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is GUUPAMIBFONLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-12(2)14-8-7-13(3)10-15(14)27-17(23)11-22-18(24)20(4,21-19(22)25)16-6-5-9-26-16/h5-6,9,12-15H,7-8,10-11H2,1-4H3,(H,21,25).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 376.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 51317464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).