[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

C21H25NO5 — CID 7997830

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO5/c1-5-25-18-9-7-6-8-17(18)22-19(23)12-26-20(24)13-27-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyNXTKYAFFJVVXGA-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.57
Rot. Bonds8

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (PubChem CID 7997830) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
PubChem CID7997830
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
SMILESCCOc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO5/c1-5-25-18-9-7-6-8-17(18)22-19(23)12-26-20(24)13-27-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23)
InChIKeyNXTKYAFFJVVXGA-UHFFFAOYSA-N
XLogP3.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethylanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997857
2-(2-chloro-4,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 23790866
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696063
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272270
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate (CID 7997830) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is CCOc1ccccc1NC(=O)COC(=O)COc1c(C)cc(C)cc1C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
The InChIKey is NXTKYAFFJVVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-5-25-18-9-7-6-8-17(18)22-19(23)12-26-20(24)13-27-21-15(3)10-14(2)11-16(21)4/h6-11H,5,12-13H2,1-4H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate is sourced from PubChem (CID 7997830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).