5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

C17H20N2O3 — CID 78324504

IUPAC5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1
InChIInChI=1S/C17H20N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyOJYSZNOBHDGBCR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.32
Rot. Bonds4

About 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione

5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 78324504) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
PubChem CID78324504
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1
InChIInChI=1S/C17H20N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3
InChIKeyOJYSZNOBHDGBCR-UHFFFAOYSA-N
XLogP2.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 123256787
5-methyl-5-(3-methylcyclohexyl)-3-phenacylimidazolidine-2,4-dione
CID 90358274
5-[2-(cyclohexylmethoxy)phenyl]-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 138510294
5-[(2S)-2-bicyclo[2.2.2]octanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599469
5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599524
5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1,5-dimethyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 158611738
5-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599544
5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 90359210

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione (CID 78324504) is 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCC1.
What is the InChIKey of 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is OJYSZNOBHDGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(13-9-6-10-13)15(21)19(16(22)18(17)2)11-14(20)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3.
What are the key properties of 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione?
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 78324504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).