2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide

C20H22N2O4 — CID 25237321

IUPAC2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCOCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-24-15-19(23)22-21-14-17-11-6-12-18(25-2)20(17)26-13-7-10-16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3,(H,22,23)/b10-7+,21-14-
InChIKeyFZTOQPYIWWBUAX-CRZZXXEWSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds9

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

2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (PubChem CID 25237321) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
PubChem CID25237321
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCOCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-24-15-19(23)22-21-14-17-11-6-12-18(25-2)20(17)26-13-7-10-16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3,(H,22,23)/b10-7+,21-14-
InChIKeyFZTOQPYIWWBUAX-CRZZXXEWSA-N
XLogP2.88
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
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 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (CID 25237321) is 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is COCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The InChIKey is FZTOQPYIWWBUAX-CRZZXXEWSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-15-19(23)22-21-14-17-11-6-12-18(25-2)20(17)26-13-7-10-16-8-4-3-5-9-16/h3-12,14H,13,15H2,1-2H3,(H,22,23)/b10-7+,21-14-.
What are the key properties of 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(Z)-[3-methoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 25237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).