[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C18H19NO4 — CID 55936409

IUPAC[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESC/C=C/COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H19NO4/c1-2-3-11-23-18(21)15(13-14-8-5-4-6-9-14)19-17(20)16-10-7-12-22-16/h2-10,12,15H,11,13H2,1H3,(H,19,20)/b3-2+/t15-/m0/s1
InChIKeyJDIZEXBJKZOXFW-FAAWYNLUSA-N
MW313.35 g/mol
LogP2.74
Rot. Bonds7

About [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 55936409) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID55936409
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESC/C=C/COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H19NO4/c1-2-3-11-23-18(21)15(13-14-8-5-4-6-9-14)19-17(20)16-10-7-12-22-16/h2-10,12,15H,11,13H2,1H3,(H,19,20)/b3-2+/t15-/m0/s1
InChIKeyJDIZEXBJKZOXFW-FAAWYNLUSA-N
XLogP2.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 55936409) is [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is C/C=C/COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is JDIZEXBJKZOXFW-FAAWYNLUSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-3-11-23-18(21)15(13-14-8-5-4-6-9-14)19-17(20)16-10-7-12-22-16/h2-10,12,15H,11,13H2,1H3,(H,19,20)/b3-2+/t15-/m0/s1.
What are the key properties of [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 313.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 55936409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).