2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide

C12H15ClN2O2 — CID 57256493

IUPAC2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
SMILESC=C(NOCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-9(10-4-6-11(13)7-5-10)14-17-8-12(16)15(2)3/h4-7,14H,1,8H2,2-3H3
InChIKeyVJVXFDHVSLBWPQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide

2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide (PubChem CID 57256493) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
PubChem CID57256493
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
SMILESC=C(NOCC(=O)N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-9(10-4-6-11(13)7-5-10)14-17-8-12(16)15(2)3/h4-7,14H,1,8H2,2-3H3
InChIKeyVJVXFDHVSLBWPQ-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-Chloro-3-fluorophenyl)ethylamino]oxyacetamide
CID 112672436
2-[(4-Chloro-3-fluorophenyl)methylamino]oxyacetamide
CID 112672925
2-[(4-Chloro-2-fluorophenyl)methylamino]oxyacetamide
CID 114842617
2-(aminooxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2764490
2-[1-(4-Chlorophenyl)ethenylamino]oxyacetamide
CID 56975337
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
N-[1-(4-chlorophenyl)ethenylamino]oxy-N-methylacetamide
CID 56990111
N-[1-(4-chlorophenyl)ethenylamino]oxyacetamide
CID 56990726
1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethenamine
CID 57002362
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
N-[1-(4-chlorophenyl)ethenylamino]oxyacetohydrazide
CID 57054215

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide (CID 57256493) is 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide is C=C(NOCC(=O)N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide?
The InChIKey is VJVXFDHVSLBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9(10-4-6-11(13)7-5-10)14-17-8-12(16)15(2)3/h4-7,14H,1,8H2,2-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide?
2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 57256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).