2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C15H17ClN2O5 — CID 22830377

IUPAC2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN2O5/c1-15(2)13(20)18(14(21)17-15)9-12(19)23-7-6-22-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,17,21)
InChIKeyRPCRXCZMYJNSDA-UHFFFAOYSA-N
MW340.76 g/mol
LogP1.59
Rot. Bonds6

About 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 22830377) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID22830377
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN2O5/c1-15(2)13(20)18(14(21)17-15)9-12(19)23-7-6-22-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,17,21)
InChIKeyRPCRXCZMYJNSDA-UHFFFAOYSA-N
XLogP1.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 29393678
2-(4-chlorophenoxy)ethyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793385
2-(3-methylphenoxy)ethyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651677
[4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxymethyl]phenyl]methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42967491
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
2-(4-chlorophenoxy)ethyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709567
2-(4-chlorophenoxy)ethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651672
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 40633110
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993678
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 22830377) is 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCCOc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is RPCRXCZMYJNSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-15(2)13(20)18(14(21)17-15)9-12(19)23-7-6-22-11-5-3-4-10(16)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,17,21).
What are the key properties of 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 340.76 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 22830377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).