5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione

C16H20N2O3 — CID 60623130

IUPAC5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)11-5-7-12(8-6-11)13(19)9-18-14(20)16(3,4)17-15(18)21/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeyHOEKYWQVMMZASR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds4

About 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 60623130) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID60623130
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)11-5-7-12(8-6-11)13(19)9-18-14(20)16(3,4)17-15(18)21/h5-8,10H,9H2,1-4H3,(H,17,21)
InChIKeyHOEKYWQVMMZASR-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 51259389
(5S)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595878
5,5-dimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623134
(5S)-3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595850
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199
(5S)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7489679
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 42898870
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
methyl 3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzoate
CID 119052968

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione (CID 60623130) is 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione is CC(C)c1ccc(C(=O)CN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is HOEKYWQVMMZASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)11-5-7-12(8-6-11)13(19)9-18-14(20)16(3,4)17-15(18)21/h5-8,10H,9H2,1-4H3,(H,17,21).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60623130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).