ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate

C19H20N2O3 — CID 25237296

IUPACethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-23-19(22)21-20-15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,15H,2,14H2,1H3,(H,21,22)/b9-6+,20-15-
InChIKeyZEJZDEHDZLCWIY-HTQUAAPTSA-N
MW324.38 g/mol
LogP3.86
Rot. Bonds7

About ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate

ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (PubChem CID 25237296) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
PubChem CID25237296
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-23-19(22)21-20-15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,15H,2,14H2,1H3,(H,21,22)/b9-6+,20-15-
InChIKeyZEJZDEHDZLCWIY-HTQUAAPTSA-N
XLogP3.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (CID 25237296) is ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is CCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1.
What is the InChIKey of ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The InChIKey is ZEJZDEHDZLCWIY-HTQUAAPTSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-23-19(22)21-20-15-17-10-12-18(13-11-17)24-14-6-9-16-7-4-3-5-8-16/h3-13,15H,2,14H2,1H3,(H,21,22)/b9-6+,20-15-.
What are the key properties of ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate has a molecular weight of 324.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25237296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).