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

C14H19ClN2O3 — CID 56978020

IUPAC2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-11(12-4-6-13(15)7-5-12)16-20-10-14(18)19-9-8-17(2)3/h4-7,16H,1,8-10H2,2-3H3
InChIKeyAARPIZKXAUUMNP-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.94
Rot. Bonds8

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

2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 56978020) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID56978020
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-11(12-4-6-13(15)7-5-12)16-20-10-14(18)19-9-8-17(2)3/h4-7,16H,1,8-10H2,2-3H3
InChIKeyAARPIZKXAUUMNP-UHFFFAOYSA-N
XLogP1.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxylamine, N-(p-chlorobenzyl)-O-(2-diethylaminoethyl)-, oxalate
CID 3046187
2-acetyloxy-N-(2-acetyloxyethyl)-N-[(4-chlorophenyl)methyl]ethanamine oxide
CID 134884551
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethoxy]ethenamine
CID 57017294
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
Methyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57056971
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethoxy)ethenamine
CID 57073351
2-Acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57084115
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-Piperidin-1-ylethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57311494

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 56978020) is 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is AARPIZKXAUUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-11(12-4-6-13(15)7-5-12)16-20-10-14(18)19-9-8-17(2)3/h4-7,16H,1,8-10H2,2-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 298.77 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 56978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).