ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate

C15H19Cl2NO4 — CID 112843696

IUPACethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-3-7-18(9-15(20)21-4-2)14(19)10-22-13-6-5-11(16)8-12(13)17/h5-6,8H,3-4,7,9-10H2,1-2H3
InChIKeyPAEJEIHFNMEFQY-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.17
Rot. Bonds8

About ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate

ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate (PubChem CID 112843696) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
PubChem CID112843696
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Nameethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-3-7-18(9-15(20)21-4-2)14(19)10-22-13-6-5-11(16)8-12(13)17/h5-6,8H,3-4,7,9-10H2,1-2H3
InChIKeyPAEJEIHFNMEFQY-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
CID 171770392
2-(2,5-dichlorophenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60703186
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate (CID 112843696) is ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate?
The InChIKey is PAEJEIHFNMEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-3-7-18(9-15(20)21-4-2)14(19)10-22-13-6-5-11(16)8-12(13)17/h5-6,8H,3-4,7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate?
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate has a molecular weight of 348.23 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate is sourced from PubChem (CID 112843696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).