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

C18H18N2O3 — CID 25237294

IUPACmethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-18(21)20-19-14-16-9-11-17(12-10-16)23-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,20,21)/b8-5+,19-14-
InChIKeyRJQNIYSEVQWMRH-DOOFWDELSA-N
MW310.35 g/mol
LogP3.47
Rot. Bonds6

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

methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (PubChem CID 25237294) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
PubChem CID25237294
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-18(21)20-19-14-16-9-11-17(12-10-16)23-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,20,21)/b8-5+,19-14-
InChIKeyRJQNIYSEVQWMRH-DOOFWDELSA-N
XLogP3.47
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.47
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 methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (CID 25237294) is methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1.
What is the InChIKey of methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The InChIKey is RJQNIYSEVQWMRH-DOOFWDELSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-18(21)20-19-14-16-9-11-17(12-10-16)23-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,20,21)/b8-5+,19-14-.
What are the key properties of methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25237294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).