2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

C13H17ClN2O3 — CID 57032955

IUPAC2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCNC)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-10(11-3-5-12(14)6-4-11)16-19-9-13(17)18-8-7-15-2/h3-6,15-16H,1,7-9H2,2H3
InChIKeyFQCOHMHODOXZOB-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.59
Rot. Bonds8

About 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate

2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57032955) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57032955
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCNC)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-10(11-3-5-12(14)6-4-11)16-19-9-13(17)18-8-7-15-2/h3-6,15-16H,1,7-9H2,2H3
InChIKeyFQCOHMHODOXZOB-UHFFFAOYSA-N
XLogP1.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Hydroxylamine, N-(p-chlorobenzyl)-O-(2-diethylaminoethyl)-, oxalate
CID 3046187
2-[(4-Chlorophenyl)methylamino]ethyl acetate
CID 10978321
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
2-Acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57084115
N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine
CID 57130558
1-(Dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57178648
(1,4-Dimethylpiperidin-4-yl) 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57208828
2-[1-(4-chlorophenyl)ethenylamino]oxy-N,N-dimethylacetamide
CID 57256493
2-Pyrrolidin-2-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57264503
2-Piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57311494
N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-ethoxypent-1-en-1-amine
CID 90781218

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57032955) is 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCNC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is FQCOHMHODOXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-10(11-3-5-12(14)6-4-11)16-19-9-13(17)18-8-7-15-2/h3-6,15-16H,1,7-9H2,2H3.
What are the key properties of 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 284.74 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57032955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).