2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide

C19H17N3O2 — CID 25237182

IUPAC2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c20-13-12-19(23)22-21-15-17-8-10-18(11-9-17)24-14-4-7-16-5-2-1-3-6-16/h1-11,15H,12,14H2,(H,22,23)/b7-4+,21-15-
InChIKeyPPHALDIRZOKZSP-YMJDNYJDSA-N
MW319.36 g/mol
LogP3.14
Rot. Bonds7

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

2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (PubChem CID 25237182) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
PubChem CID25237182
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2/c20-13-12-19(23)22-21-15-17-8-10-18(11-9-17)24-14-4-7-16-5-2-1-3-6-16/h1-11,15H,12,14H2,(H,22,23)/b7-4+,21-15-
InChIKeyPPHALDIRZOKZSP-YMJDNYJDSA-N
XLogP3.14
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.14
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 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (CID 25237182) is 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is N#CCC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The InChIKey is PPHALDIRZOKZSP-YMJDNYJDSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-13-12-19(23)22-21-15-17-8-10-18(11-9-17)24-14-4-7-16-5-2-1-3-6-16/h1-11,15H,12,14H2,(H,22,23)/b7-4+,21-15-.
What are the key properties of 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 25237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).