[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C13H16ClNO4 — CID 9404344

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9-6-10(4-5-11(9)14)18-8-13(17)19-7-12(16)15(2)3/h4-6H,7-8H2,1-3H3
InChIKeyOFHGXQMARXTMTL-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.66
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 9404344) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID9404344
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9-6-10(4-5-11(9)14)18-8-13(17)19-7-12(16)15(2)3/h4-6H,7-8H2,1-3H3
InChIKeyOFHGXQMARXTMTL-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404407
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846065
methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
4-[2-(4-chloro-3-methylphenoxy)acetyl]oxybenzoic acid
CID 54854815
methyl 4-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]butanoate
CID 60714425

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 9404344) is [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)N(C)C)ccc1Cl.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is OFHGXQMARXTMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-9-6-10(4-5-11(9)14)18-8-13(17)19-7-12(16)15(2)3/h4-6H,7-8H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 285.73 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 9404344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).