ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate

C15H21NO4 — CID 5069097

IUPACethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(NC(C)=O)c(C)c1C
InChIInChI=1S/C15H21NO4/c1-6-19-14(18)8-20-13-7-9(2)15(16-12(5)17)11(4)10(13)3/h7H,6,8H2,1-5H3,(H,16,17)
InChIKeyNDJGMZGYTUFQIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.51
Rot. Bonds5

About ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate

ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate (PubChem CID 5069097) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
PubChem CID5069097
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
SMILESCCOC(=O)COc1cc(C)c(NC(C)=O)c(C)c1C
InChIInChI=1S/C15H21NO4/c1-6-19-14(18)8-20-13-7-9(2)15(16-12(5)17)11(4)10(13)3/h7H,6,8H2,1-5H3,(H,16,17)
InChIKeyNDJGMZGYTUFQIN-UHFFFAOYSA-N
XLogP2.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-bromo-2,3,5-trimethylphenoxy)acetate
CID 86047360
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
N-(3-hydrazinyl-2,4,6-trimethylphenyl)acetamide
CID 54220415
ethyl 2-(4-amino-2,6-dimethylphenoxy)acetate
CID 5305638
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
ethyl 2-(2-methyl-4-sulfanylphenoxy)acetate
CID 16641178
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-(4-iodo-2-methylphenoxy)acetate
CID 57361058
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate (CID 5069097) is ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate is CCOC(=O)COc1cc(C)c(NC(C)=O)c(C)c1C.
What is the InChIKey of ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate?
The InChIKey is NDJGMZGYTUFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-19-14(18)8-20-13-7-9(2)15(16-12(5)17)11(4)10(13)3/h7H,6,8H2,1-5H3,(H,16,17).
What are the key properties of ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate?
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate has a molecular weight of 279.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate is sourced from PubChem (CID 5069097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).