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

C14H19BrN2O3 — CID 57315121

IUPAC2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/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
InChIKeyUECUSILRJNYJCD-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.05
Rot. Bonds8

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

2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate (PubChem CID 57315121) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
PubChem CID57315121
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
SMILESC=C(NOCC(=O)OCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/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
InChIKeyUECUSILRJNYJCD-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57210391
N-(2-aminoethoxy)-1-(4-bromophenyl)-5-(2-methoxyethoxy)pent-1-en-1-amine
CID 91063356
ethyl 2-[(Z)-2-amino-2-(4-bromophenyl)ethenoxy]acetate
CID 167257342
2-[1-(4-Bromophenyl)ethenylamino]oxyacetate
CID 1849697
Ethyl 2-[2-[(4-bromophenyl)methyl-methylamino]ethoxy]acetate
CID 80189928
Ethyl 2-[2-[(4-bromophenyl)methylamino]ethoxy]acetate
CID 103234928
Ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate
CID 103245709

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate (CID 57315121) is 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate is C=C(NOCC(=O)OCCN(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate?
The InChIKey is UECUSILRJNYJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/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-bromophenyl)ethenylamino]oxyacetate?
2-(dimethylamino)ethyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate has a molecular weight of 343.22 g/mol, XLogP of 2.05, 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-bromophenyl)ethenylamino]oxyacetate is sourced from PubChem (CID 57315121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).