5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione

C16H20N2O4 — CID 973291

IUPAC5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCC(=O)c1ccccc1OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-4-12(19)11-7-5-6-8-13(11)22-10-9-18-14(20)16(2,3)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyFDBQBKSMIFMBBT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.99
Rot. Bonds6

About 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 973291) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID973291
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
SMILESCCC(=O)c1ccccc1OCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-4-12(19)11-7-5-6-8-13(11)22-10-9-18-14(20)16(2,3)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21)
InChIKeyFDBQBKSMIFMBBT-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.99
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

2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 43243887
3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43365746
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657099
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propoxyphenyl)acetamide
CID 33082783
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 51980530
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1300284

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione (CID 973291) is 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione is CCC(=O)c1ccccc1OCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is FDBQBKSMIFMBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-12(19)11-7-5-6-8-13(11)22-10-9-18-14(20)16(2,3)17-15(18)21/h5-8H,4,9-10H2,1-3H3,(H,17,21).
What are the key properties of 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 304.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 973291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).