ethyl 2-(2,5-dimethoxyanilino)acetate

C12H17NO4 — CID 28576005

IUPACethyl 2-(2,5-dimethoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-4-17-12(14)8-13-10-7-9(15-2)5-6-11(10)16-3/h5-7,13H,4,8H2,1-3H3
InChIKeyMVYFXBRXBFASGU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.68
Rot. Bonds6

About ethyl 2-(2,5-dimethoxyanilino)acetate

ethyl 2-(2,5-dimethoxyanilino)acetate (PubChem CID 28576005) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxyanilino)acetate
PubChem CID28576005
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 2-(2,5-dimethoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-4-17-12(14)8-13-10-7-9(15-2)5-6-11(10)16-3/h5-7,13H,4,8H2,1-3H3
InChIKeyMVYFXBRXBFASGU-UHFFFAOYSA-N
XLogP1.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
2-(2,5-dimethoxyanilino)-N-phenylacetamide;2-methylaniline
CID 174411447

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethoxyanilino)acetate?
The IUPAC name of ethyl 2-(2,5-dimethoxyanilino)acetate (CID 28576005) is ethyl 2-(2,5-dimethoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxyanilino)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethoxyanilino)acetate is CCOC(=O)CNc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-(2,5-dimethoxyanilino)acetate?
The InChIKey is MVYFXBRXBFASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-17-12(14)8-13-10-7-9(15-2)5-6-11(10)16-3/h5-7,13H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethoxyanilino)acetate?
ethyl 2-(2,5-dimethoxyanilino)acetate has a molecular weight of 239.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxyanilino)acetate is sourced from PubChem (CID 28576005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).