2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate

C14H17ClN2O4 — CID 54001377

IUPAC2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
SMILESCC(=O)NCCOC(=O)CON=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-10(12-3-5-13(15)6-4-12)17-21-9-14(19)20-8-7-16-11(2)18/h3-6H,7-9H2,1-2H3,(H,16,18)
InChIKeyKLWACCOKWOOFMA-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.76
Rot. Bonds7

About 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate

2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate (PubChem CID 54001377) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate.

Molecular Properties

Compound Name2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
PubChem CID54001377
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
SMILESCC(=O)NCCOC(=O)CON=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4/c1-10(12-3-5-13(15)6-4-12)17-21-9-14(19)20-8-7-16-11(2)18/h3-6H,7-9H2,1-2H3,(H,16,18)
InChIKeyKLWACCOKWOOFMA-UHFFFAOYSA-N
XLogP1.76
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cloximate
CID 9571060
2-(methylamino)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate;hydrochloride
CID 12385401
2-(cyclohexylamino)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate;hydrochloride
CID 12385403
2-morpholin-4-ylethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate;hydrochloride
CID 12385405
2-(4-methylpiperazin-1-yl)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate;hydrochloride
CID 12385407
[2-(dimethylamino)-2-methylpropyl] 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate;hydrochloride
CID 12385409
2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxy-N-methylacetamide
CID 12385433
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylacetamide
CID 46191877
2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxy-N-propan-2-ylpropanamide
CID 46191880
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 68786
2-(methylamino)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 12385400
2-(cyclohexylamino)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate
CID 12385402

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The IUPAC name of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate (CID 54001377) is 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate.
What is the SMILES notation for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The canonical SMILES for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate is CC(=O)NCCOC(=O)CON=C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
The InChIKey is KLWACCOKWOOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-10(12-3-5-13(15)6-4-12)17-21-9-14(19)20-8-7-16-11(2)18/h3-6H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate?
2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate has a molecular weight of 312.75 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethylideneamino]oxyacetate is sourced from PubChem (CID 54001377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).