methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate

C14H21NO4 — CID 115232849

IUPACmethyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-6)11(7-12(9)17-4)15(3)8-13(16)18-5/h7H,8H2,1-6H3
InChIKeyHIUBCDHBFWZPKX-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate

methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate (PubChem CID 115232849) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
PubChem CID115232849
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-6)11(7-12(9)17-4)15(3)8-13(16)18-5/h7H,8H2,1-6H3
InChIKeyHIUBCDHBFWZPKX-UHFFFAOYSA-N
XLogP1.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
CID 115259380
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
CID 115225660
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
2-(2,5-dimethoxy-N,3,4-trimethylanilino)ethanethiol
CID 115223892
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135839
methyl 2-(2-fluoro-5-methoxy-N-methyl-4-nitroanilino)acetate
CID 107260625
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate?
The IUPAC name of methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate (CID 115232849) is methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate?
The canonical SMILES for methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate is COC(=O)CN(C)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate?
The InChIKey is HIUBCDHBFWZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-10(2)14(19-6)11(7-12(9)17-4)15(3)8-13(16)18-5/h7H,8H2,1-6H3.
What are the key properties of methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate?
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate has a molecular weight of 267.32 g/mol, XLogP of 1.93, 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,3,4-trimethylanilino)acetate is sourced from PubChem (CID 115232849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).