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

C18H18N2O2 — CID 25237178

IUPACN-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-9-5-11-18(13-17)22-12-6-10-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,20,21)/b10-6+,19-14-
InChIKeyABWQSUMBSFDROA-YECQTARSSA-N
MW294.35 g/mol
LogP3.25
Rot. Bonds6

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

N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (PubChem CID 25237178) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
PubChem CID25237178
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cccc(OC/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-9-5-11-18(13-17)22-12-6-10-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,20,21)/b10-6+,19-14-
InChIKeyABWQSUMBSFDROA-YECQTARSSA-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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Related Compounds

N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
methyl (2E)-2-{2-[2-(4-methoxyphenoxy)ethoxy]benzylidene}hydrazinecarboxylate
CID 6883540
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
4-(4-methoxyphenyl)-N'-[(E)-(4-methylphenyl)methylidene]butanehydrazide
CID 9580173
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
2-cyano-N'-[(Z)-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237181
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237184
N'-[(E)-(2-propoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237186
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]-2-cyano-acetamide
CID 25237201
2-hydroxy-2-methyl-N'-[(Z)-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]propanehydrazide
CID 25237291

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide (CID 25237178) is N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1cccc(OC/C=C/c2ccccc2)c1.
What is the InChIKey of N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
The InChIKey is ABWQSUMBSFDROA-YECQTARSSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15(21)20-19-14-17-9-5-11-18(13-17)22-12-6-10-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,20,21)/b10-6+,19-14-.
What are the key properties of N-[(Z)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide?
N-[(Z)-[3-[(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)-[3-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 25237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).