methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate

C13H19NO3 — CID 115232790

IUPACmethyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
SMILESCOC(=O)CN(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-9-10(2)12(16-4)7-6-11(9)14(3)8-13(15)17-5/h6-7H,8H2,1-5H3
InChIKeyVAXOHBWUJMTUQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.92
Rot. Bonds4

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

methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate (PubChem CID 115232790) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
PubChem CID115232790
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
SMILESCOC(=O)CN(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H19NO3/c1-9-10(2)12(16-4)7-6-11(9)14(3)8-13(15)17-5/h6-7H,8H2,1-5H3
InChIKeyVAXOHBWUJMTUQQ-UHFFFAOYSA-N
XLogP1.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
methyl 3-(N,2,3,4-tetramethylanilino)propanoate
CID 115232358
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
2-hydroxy-N-(4-methoxy-2,3-dimethylphenyl)-N-methylpropanamide
CID 115140531
N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
CID 115176301
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate?
The IUPAC name of methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate (CID 115232790) is methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate.
What is the SMILES notation for methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate?
The canonical SMILES for methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate is COC(=O)CN(C)c1ccc(OC)c(C)c1C.
What is the InChIKey of methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate?
The InChIKey is VAXOHBWUJMTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-10(2)12(16-4)7-6-11(9)14(3)8-13(15)17-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate?
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate is sourced from PubChem (CID 115232790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).