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

C21H24N2O4 — CID 2215966

IUPAC5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C21H24N2O4/c1-21(2)19(24)23(20(25)22-21)12-13-26-14-15-27-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,22,25)
InChIKeyFHUMOWPQDTXVKJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.08
Rot. Bonds8

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

5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione (PubChem CID 2215966) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
PubChem CID2215966
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C21H24N2O4/c1-21(2)19(24)23(20(25)22-21)12-13-26-14-15-27-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,22,25)
InChIKeyFHUMOWPQDTXVKJ-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-ethoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21700264
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(2-methoxyethyl)acetamide
CID 4428247
3-[2-(2,6-Dimethylphenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4878039
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
4'-[3-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-hydroxy-propoxy]-biphenyl-4-carbonitrile
CID 644857
Abt-770
CID 9869811
N-[1-[4-(4-cyanophenyl)phenoxy]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
CID 10342176
N-[1-[4'-(Trifluoromethoxy)-4-biphenylyloxymethyl]-2-(2,5-dioxo-4,4-dimethylimidazolidine-1-yl)ethyl]formhydroxamic acid
CID 18319167
N-{1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-yl}-acetamide
CID 18678308
{1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidin-3-yl}-urea
CID 18678332
N-[(2R)-1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
CID 20689551
N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-(4-propoxyphenyl)phenoxy]propan-2-yl]-N-hydroxyformamide
CID 21699989

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione (CID 2215966) is 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCOCCOc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
The InChIKey is FHUMOWPQDTXVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)19(24)23(20(25)22-21)12-13-26-14-15-27-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,22,25).
What are the key properties of 5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione has a molecular weight of 368.43 g/mol, XLogP of 3.08, 8 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-(2-phenylphenoxy)ethoxy]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2215966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).