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

C18H18N2O2 — CID 25237177

IUPACN-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-11-5-6-12-18(17)22-13-7-10-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,20,21)/b10-7+,19-14-
InChIKeySGFDHTIOIDMUIS-VAVYRGOBSA-N
MW294.35 g/mol
LogP3.25
Rot. Bonds6

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

N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (PubChem CID 25237177) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
PubChem CID25237177
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-11-5-6-12-18(17)22-13-7-10-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,20,21)/b10-7+,19-14-
InChIKeySGFDHTIOIDMUIS-VAVYRGOBSA-N
XLogP3.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (CID 25237177) is N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1.
What is the InChIKey of N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The InChIKey is SGFDHTIOIDMUIS-VAVYRGOBSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-11-5-6-12-18(17)22-13-7-10-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,20,21)/b10-7+,19-14-.
What are the key properties of N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 25237177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).