methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate

C14H21NO3 — CID 115232845

IUPACmethyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
SMILESCOC(=O)CN(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4)8-12(16)17-5/h7H,8H2,1-6H3
InChIKeyYWGWHDOIJBQGLU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate

methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate (PubChem CID 115232845) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
PubChem CID115232845
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
SMILESCOC(=O)CN(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C14H21NO3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4)8-12(16)17-5/h7H,8H2,1-6H3
InChIKeyYWGWHDOIJBQGLU-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
CID 115250728
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
CID 115235463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate?
The IUPAC name of methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate (CID 115232845) is methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate?
The canonical SMILES for methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate is COC(=O)CN(C)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate?
The InChIKey is YWGWHDOIJBQGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-7-10(2)13(14(18-6)11(9)3)15(4)8-12(16)17-5/h7H,8H2,1-6H3.
What are the key properties of methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate?
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate is sourced from PubChem (CID 115232845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).