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

C14H17ClN2O4 — CID 57084115

IUPAC2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCNC(C)=O)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/h3-6,17H,1,7-9H2,2H3,(H,16,18)
InChIKeyVEMBZFLBWRPZFI-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.51
Rot. Bonds8

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

2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (PubChem CID 57084115) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
PubChem CID57084115
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCNC(C)=O)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/h3-6,17H,1,7-9H2,2H3,(H,16,18)
InChIKeyVEMBZFLBWRPZFI-UHFFFAOYSA-N
XLogP1.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.51
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

[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
CID 2371650
Ethyl [(4-chlorobenzyl)amino](oxo)acetate
CID 244924
Hydroxylamine, N-(p-chlorobenzyl)-O-(2-diethylaminoethyl)-, oxalate
CID 3046187
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] acetate
CID 2545446
{[(4-Chloro-alpha-methylbenzylidene)amino]oxy}acetic acid (2-acetamidoethyl)ester
CID 54001377
2-(Dimethylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 56978020
2-(Methylamino)ethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57032955
1-(Dimethylamino)propan-2-yl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate
CID 57178648
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
Tert-butyl 2-(3-(4-chlorobenzyl)ureidooxy)acetate
CID 86658800

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate (CID 57084115) is 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCNC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
The InChIKey is VEMBZFLBWRPZFI-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/h3-6,17H,1,7-9H2,2H3,(H,16,18).
What are the key properties of 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate?
2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate has a molecular weight of 312.75 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 2-[1-(4-chlorophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57084115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).