[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate

C19H23N3O6 — CID 55934709

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
SMILESCOc1ccc(C=CC(=O)N[C@@H](C)C(=O)OC(C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C19H23N3O6/c1-12(18(25)28-13(2)17(24)22-11-10-20-19(22)26)21-16(23)9-6-14-4-7-15(27-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,26)(H,21,23)/t12-,13?/m0/s1
InChIKeyQXPQDKVMULYZCC-UEWDXFNNSA-N
MW389.41 g/mol
LogP0.70
Rot. Bonds7

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate (PubChem CID 55934709) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
PubChem CID55934709
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
SMILESCOc1ccc(C=CC(=O)N[C@@H](C)C(=O)OC(C)C(=O)N2CCNC2=O)cc1
InChIInChI=1S/C19H23N3O6/c1-12(18(25)28-13(2)17(24)22-11-10-20-19(22)26)21-16(23)9-6-14-4-7-15(27-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,26)(H,21,23)/t12-,13?/m0/s1
InChIKeyQXPQDKVMULYZCC-UEWDXFNNSA-N
XLogP0.70
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7607767
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55326593
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939556
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
(E)-3-(4-methoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18161234
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55943979
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 55935070
methyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]propanoate
CID 76872215
(4-methylphenyl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7607527
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 42903791
[2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7607597
(4-chlorophenyl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7573559

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate (CID 55934709) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate is COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OC(C)C(=O)N2CCNC2=O)cc1.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate?
The InChIKey is QXPQDKVMULYZCC-UEWDXFNNSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-12(18(25)28-13(2)17(24)22-11-10-20-19(22)26)21-16(23)9-6-14-4-7-15(27-3)8-5-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,26)(H,21,23)/t12-,13?/m0/s1.
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate has a molecular weight of 389.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate is sourced from PubChem (CID 55934709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).