N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide

C18H18N2O2 — CID 46192031

IUPACN-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
SMILESCC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)20-22-14-18(21)19-17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,19,21)/b13-12+,20-15+
InChIKeyNQRGNFXWEHSTCH-PAIIRMBHSA-N
MW294.35 g/mol
LogP3.73
Rot. Bonds6

About N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide

N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide (PubChem CID 46192031) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
PubChem CID46192031
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide
SMILESCC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)20-22-14-18(21)19-17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,19,21)/b13-12+,20-15+
InChIKeyNQRGNFXWEHSTCH-PAIIRMBHSA-N
XLogP3.73
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 ≤ 53.73
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

4',4''-Methylenebis(acetanilide)
CID 94990
2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
N-(3,5-dimethylphenyl)-2-[[2-(4-methylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 4095074
2-[[amino(phenyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 4842829
2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
CID 4842831
N-(2,4-dimethylphenyl)-2-[(E)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 9687072
N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
CID 6013773
2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 6892656
2-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-N-(4-methylphenyl)acetamide
CID 3978883
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 9649126
N-{4-[4-(4-Acetylamino-phenyl)-butyl]-phenyl}-acetamide
CID 257819
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9684391

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The IUPAC name of N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide (CID 46192031) is N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide.
What is the SMILES notation for N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The canonical SMILES for N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide is CC(/C=C/c1ccccc1)=N\OCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
The InChIKey is NQRGNFXWEHSTCH-PAIIRMBHSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)20-22-14-18(21)19-17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,19,21)/b13-12+,20-15+.
What are the key properties of N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide?
N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxyacetamide is sourced from PubChem (CID 46192031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).