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

C19H20N2O4 — CID 25237293

IUPACmethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-23-18-13-16(14-20-21-19(22)24-2)10-11-17(18)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b9-6+,20-14-
InChIKeyBIAPIPYSCRVIJK-RKXDMJPUSA-N
MW340.38 g/mol
LogP3.48
Rot. Bonds7

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

methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (PubChem CID 25237293) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
PubChem CID25237293
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-23-18-13-16(14-20-21-19(22)24-2)10-11-17(18)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b9-6+,20-14-
InChIKeyBIAPIPYSCRVIJK-RKXDMJPUSA-N
XLogP3.48
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.48
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 methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate (CID 25237293) is methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
The InChIKey is BIAPIPYSCRVIJK-RKXDMJPUSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-18-13-16(14-20-21-19(22)24-2)10-11-17(18)25-12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b9-6+,20-14-.
What are the key properties of methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate?
methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate has a molecular weight of 340.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 25237293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).