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

C17H22N2O4 — CID 2215913

IUPAC5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-13(20)12-8-5-6-9-14(12)23-11-7-10-19-15(21)17(2,3)18-16(19)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,22)
InChIKeyWOPNJZBIHMUJAW-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.38
Rot. Bonds7

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

5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione (PubChem CID 2215913) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione
PubChem CID2215913
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione
SMILESCCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C17H22N2O4/c1-4-13(20)12-8-5-6-9-14(12)23-11-7-10-19-15(21)17(2,3)18-16(19)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,22)
InChIKeyWOPNJZBIHMUJAW-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.38
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

3-[(5-Acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2092175
N-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-ethoxy-benzamide
CID 3161227
3-[(5-Acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 4883627
8-[5-(2-Methoxy-5-phenylphenyl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931422
3-[(5-Acetyl-2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527740
3-[(5-Acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622478
3-[(5-Acetyl-2-ethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701781
3-[(2-Ethoxyphenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2998882
3-[2-Hydroxy-3-[2-(piperidine-1-carbonyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 3133086
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7170186
(5-Acetyl-2-ethoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821744
2-butoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
CID 45259898

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione (CID 2215913) is 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione is CCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione?
The InChIKey is WOPNJZBIHMUJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-13(20)12-8-5-6-9-14(12)23-11-7-10-19-15(21)17(2,3)18-16(19)22/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,18,22).
What are the key properties of 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(2-propanoylphenoxy)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2215913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).