2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide

C15H19ClN2O2 — CID 46191877

IUPAC2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OCC(=O)NC(C)C
InChIInChI=1S/C15H19ClN2O2/c1-11(2)17-15(19)10-20-18-12(3)4-5-13-6-8-14(16)9-7-13/h4-9,11H,10H2,1-3H3,(H,17,19)/b5-4+,18-12+
InChIKeyJPHCEIYFMDXRJW-ZLFBLCKNSA-N
MW294.78 g/mol
LogP3.27
Rot. Bonds6

About 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide

2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide (PubChem CID 46191877) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide
PubChem CID46191877
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\OCC(=O)NC(C)C
InChIInChI=1S/C15H19ClN2O2/c1-11(2)17-15(19)10-20-18-12(3)4-5-13-6-8-14(16)9-7-13/h4-9,11H,10H2,1-3H3,(H,17,19)/b5-4+,18-12+
InChIKeyJPHCEIYFMDXRJW-ZLFBLCKNSA-N
XLogP3.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.27
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 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide (CID 46191877) is 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide is CC(/C=C/c1ccc(Cl)cc1)=N\OCC(=O)NC(C)C.
What is the InChIKey of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide?
The InChIKey is JPHCEIYFMDXRJW-ZLFBLCKNSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(2)17-15(19)10-20-18-12(3)4-5-13-6-8-14(16)9-7-13/h4-9,11H,10H2,1-3H3,(H,17,19)/b5-4+,18-12+.
What are the key properties of 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide?
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide has a molecular weight of 294.78 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 46191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).