ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate

C13H15Cl2NO4 — CID 47437686

IUPACethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-2-19-13(18)5-6-16-12(17)8-20-11-4-3-9(14)7-10(11)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyONIXSMQUGBLHAW-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.44
Rot. Bonds7

About ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate

ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate (PubChem CID 47437686) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
PubChem CID47437686
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Nameethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-2-19-13(18)5-6-16-12(17)8-20-11-4-3-9(14)7-10(11)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyONIXSMQUGBLHAW-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate 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

propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
2-(2,4-dichlorophenoxy)-N-(6-hydrazinyl-6-oxohexyl)acetamide
CID 68958426
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
ethyl 4-[[2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyacetyl]amino]butanoate
CID 29155553
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate (CID 47437686) is ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The InChIKey is ONIXSMQUGBLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-2-19-13(18)5-6-16-12(17)8-20-11-4-3-9(14)7-10(11)15/h3-4,7H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate has a molecular weight of 320.17 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 47437686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).