[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate

C16H15NO4 — CID 46791465

IUPAC[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(12-17-16(19)14-9-5-10-20-14)21-11-4-8-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,17,19)/b8-4+
InChIKeyZPHHUFWBLFRFLX-XBXARRHUSA-N
MW285.30 g/mol
LogP2.27
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate

[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 46791465) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
PubChem CID46791465
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccco1)OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(12-17-16(19)14-9-5-10-20-14)21-11-4-8-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,17,19)/b8-4+
InChIKeyZPHHUFWBLFRFLX-XBXARRHUSA-N
XLogP2.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[(Z)-3-phenylprop-2-enyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 97423646
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
methane;3-phenylprop-2-enyl acetate
CID 161251880
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate (CID 46791465) is [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate is O=C(CNC(=O)c1ccco1)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is ZPHHUFWBLFRFLX-XBXARRHUSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(12-17-16(19)14-9-5-10-20-14)21-11-4-8-13-6-2-1-3-7-13/h1-10H,11-12H2,(H,17,19)/b8-4+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate?
[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 285.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).