[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate

C17H21ClN2O5 — CID 55417535

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate
SMILESCc1cc(Cl)ccc1OCCCC(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H21ClN2O5/c1-11-10-13(18)5-6-14(11)24-9-3-4-15(21)25-12(2)16(22)20-8-7-19-17(20)23/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyOFAUADUJLGLQLG-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.29
Rot. Bonds7

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate (PubChem CID 55417535) has the molecular formula C17H21ClN2O5 and a molecular weight of 368.82 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate
PubChem CID55417535
Molecular FormulaC17H21ClN2O5
Molecular Weight368.82 g/mol
Exact Mass368.11
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate
SMILESCc1cc(Cl)ccc1OCCCC(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H21ClN2O5/c1-11-10-13(18)5-6-14(11)24-9-3-4-15(21)25-12(2)16(22)20-8-7-19-17(20)23/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,19,23)
InChIKeyOFAUADUJLGLQLG-UHFFFAOYSA-N
XLogP2.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
CID 30500787
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616826
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 8879248
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55416889
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8955988
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8737791
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoate
CID 55422873
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727401

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate (CID 55417535) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate is Cc1cc(Cl)ccc1OCCCC(=O)OC(C)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate?
The InChIKey is OFAUADUJLGLQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5/c1-11-10-13(18)5-6-14(11)24-9-3-4-15(21)25-12(2)16(22)20-8-7-19-17(20)23/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,19,23).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate has a molecular weight of 368.82 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate is sourced from PubChem (CID 55417535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).