[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate

C23H19NO2 — CID 10664939

IUPAC[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate
SMILESO=C(/N=C(\OC/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(20-14-6-2-7-15-20)24-23(21-16-8-3-9-17-21)26-18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/b13-10+,24-23-
InChIKeyOHHMQRKVXGHQNO-GKAYVQOLSA-N
MW341.41 g/mol
LogP5.00
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate

[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate (PubChem CID 10664939) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate
PubChem CID10664939
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate
SMILESO=C(/N=C(\OC/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-22(20-14-6-2-7-15-20)24-23(21-16-8-3-9-17-21)26-18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/b13-10+,24-23-
InChIKeyOHHMQRKVXGHQNO-GKAYVQOLSA-N
XLogP5.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate (CID 10664939) is [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate is O=C(/N=C(\OC/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate?
The InChIKey is OHHMQRKVXGHQNO-GKAYVQOLSA-N. The full InChI is InChI=1S/C23H19NO2/c25-22(20-14-6-2-7-15-20)24-23(21-16-8-3-9-17-21)26-18-10-13-19-11-4-1-5-12-19/h1-17H,18H2/b13-10+,24-23-.
What are the key properties of [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate?
[(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate has a molecular weight of 341.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] N-benzoylbenzenecarboximidate is sourced from PubChem (CID 10664939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).