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

C20H22N2O4 — CID 25237462

IUPACethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-11-12-18(19(14-17)24-2)26-13-7-10-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,23)/b10-7+,21-15-
InChIKeyRIIQGXZGAUBNGR-SLRCWVGKSA-N
MW354.41 g/mol
LogP3.87
Rot. Bonds8

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

ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (PubChem CID 25237462) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
PubChem CID25237462
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-11-12-18(19(14-17)24-2)26-13-7-10-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,23)/b10-7+,21-15-
InChIKeyRIIQGXZGAUBNGR-SLRCWVGKSA-N
XLogP3.87
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (CID 25237462) is ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is CCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The InChIKey is RIIQGXZGAUBNGR-SLRCWVGKSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-25-20(23)22-21-15-17-11-12-18(19(14-17)24-2)26-13-7-10-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,23)/b10-7+,21-15-.
What are the key properties of ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate has a molecular weight of 354.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25237462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).