[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate

C15H19Cl2NO4 — CID 2908421

IUPAC[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
SMILESCCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-4-18(5-2)15(20)10(3)22-14(19)9-21-13-7-6-11(16)8-12(13)17/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXAWSHJSZOVQASK-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.17
Rot. Bonds7

About [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate

[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2908421) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2908421
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
SMILESCCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-4-18(5-2)15(20)10(3)22-14(19)9-21-13-7-6-11(16)8-12(13)17/h6-8,10H,4-5,9H2,1-3H3
InChIKeyXAWSHJSZOVQASK-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

Butoxyethanol ester of 2,4-dichlorophenoxyacetic acid
CID 16002
Meclofenoxate
CID 4039
Meclofenoxate Hydrochloride
CID 19379
2,4-D, propylene glycol butyl ether ester
CID 14840
2-(2,4-Dichlorophenoxy)propionic acid butoxyethyl ester
CID 62037
2,4-D-diolamine
CID 16825
2,4-D-tris(2-hydroxypropyl)ammonium
CID 62724
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
Dichlorprop-methyl
CID 90988
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
5-[(2,4-Dichlorophenoxy)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2725803

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate (CID 2908421) is [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate is CCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is XAWSHJSZOVQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-4-18(5-2)15(20)10(3)22-14(19)9-21-13-7-6-11(16)8-12(13)17/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate?
[1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 348.23 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).