methyl 2-(2,5-dimethoxy-N-methylanilino)acetate

C12H17NO4 — CID 115232741

IUPACmethyl 2-(2,5-dimethoxy-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-13(8-12(14)17-4)10-7-9(15-2)5-6-11(10)16-3/h5-7H,8H2,1-4H3
InChIKeyUNSWTNJGIGUJLL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-(2,5-dimethoxy-N-methylanilino)acetate

methyl 2-(2,5-dimethoxy-N-methylanilino)acetate (PubChem CID 115232741) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxy-N-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxy-N-methylanilino)acetate
PubChem CID115232741
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-(2,5-dimethoxy-N-methylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(OC)ccc1OC
InChIInChI=1S/C12H17NO4/c1-13(8-12(14)17-4)10-7-9(15-2)5-6-11(10)16-3/h5-7H,8H2,1-4H3
InChIKeyUNSWTNJGIGUJLL-UHFFFAOYSA-N
XLogP1.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
methyl 2-(2-cyano-5-methoxy-N-methylanilino)acetate
CID 81299754
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
CID 21058626
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
(E)-4-(2,5-dimethoxy-N-methylanilino)but-2-enoic acid
CID 115236962
1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
CID 115171966

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxy-N-methylanilino)acetate?
The IUPAC name of methyl 2-(2,5-dimethoxy-N-methylanilino)acetate (CID 115232741) is methyl 2-(2,5-dimethoxy-N-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethoxy-N-methylanilino)acetate?
The canonical SMILES for methyl 2-(2,5-dimethoxy-N-methylanilino)acetate is COC(=O)CN(C)c1cc(OC)ccc1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxy-N-methylanilino)acetate?
The InChIKey is UNSWTNJGIGUJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13(8-12(14)17-4)10-7-9(15-2)5-6-11(10)16-3/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-(2,5-dimethoxy-N-methylanilino)acetate?
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate has a molecular weight of 239.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxy-N-methylanilino)acetate is sourced from PubChem (CID 115232741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).