[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C20H22ClNO4 — CID 7847332

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-3-14-8-7-9-15(4-2)20(14)22-18(23)12-26-19(24)13-25-17-11-6-5-10-16(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyIUBQRKHZSLXEJT-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.03
Rot. Bonds8

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 7847332) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID7847332
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-3-14-8-7-9-15(4-2)20(14)22-18(23)12-26-19(24)13-25-17-11-6-5-10-16(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyIUBQRKHZSLXEJT-UHFFFAOYSA-N
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 2105203
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 78767853
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 7847332) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)COc1ccccc1Cl.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is IUBQRKHZSLXEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-3-14-8-7-9-15(4-2)20(14)22-18(23)12-26-19(24)13-25-17-11-6-5-10-16(17)21/h5-11H,3-4,12-13H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 375.85 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 7847332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).