[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate

C20H20N2O5 — CID 18091914

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
SMILESCC(OC(=O)c1ccccc1COc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H20N2O5/c1-14(18(23)22-12-11-21-20(22)25)27-19(24)17-10-6-5-7-15(17)13-26-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,21,25)
InChIKeyJPHQBTRZJMXBOF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.36
Rot. Bonds6

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate (PubChem CID 18091914) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
PubChem CID18091914
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
SMILESCC(OC(=O)c1ccccc1COc1ccccc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H20N2O5/c1-14(18(23)22-12-11-21-20(22)25)27-19(24)17-10-6-5-7-15(17)13-26-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,21,25)
InChIKeyJPHQBTRZJMXBOF-UHFFFAOYSA-N
XLogP2.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
CID 94644112
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 18091092
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384054
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384055
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653346
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653349
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8955988
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 8734942

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate (CID 18091914) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate is CC(OC(=O)c1ccccc1COc1ccccc1)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate?
The InChIKey is JPHQBTRZJMXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-14(18(23)22-12-11-21-20(22)25)27-19(24)17-10-6-5-7-15(17)13-26-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H,21,25).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate has a molecular weight of 368.39 g/mol, XLogP of 2.36, 6 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] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 18091914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).