methyl 2-(2-methoxy-3,5-dimethylanilino)acetate

C12H17NO3 — CID 115232671

IUPACmethyl 2-(2-methoxy-3,5-dimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)cc(C)c1OC
InChIInChI=1S/C12H17NO3/c1-8-5-9(2)12(16-4)10(6-8)13-7-11(14)15-3/h5-6,13H,7H2,1-4H3
InChIKeyFZCZVZDGFOLJOV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.90
Rot. Bonds4

About methyl 2-(2-methoxy-3,5-dimethylanilino)acetate

methyl 2-(2-methoxy-3,5-dimethylanilino)acetate (PubChem CID 115232671) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3,5-dimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3,5-dimethylanilino)acetate
PubChem CID115232671
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-(2-methoxy-3,5-dimethylanilino)acetate
SMILESCOC(=O)CNc1cc(C)cc(C)c1OC
InChIInChI=1S/C12H17NO3/c1-8-5-9(2)12(16-4)10(6-8)13-7-11(14)15-3/h5-6,13H,7H2,1-4H3
InChIKeyFZCZVZDGFOLJOV-UHFFFAOYSA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
N-(hydrazinylmethyl)-2-methoxy-3,5-dimethylaniline
CID 115260467
3-amino-N-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 115154505
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate
CID 13194808
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
methyl 2-(5-methyl-2-nitroanilino)acetate
CID 58926520

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3,5-dimethylanilino)acetate?
The IUPAC name of methyl 2-(2-methoxy-3,5-dimethylanilino)acetate (CID 115232671) is methyl 2-(2-methoxy-3,5-dimethylanilino)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-3,5-dimethylanilino)acetate?
The canonical SMILES for methyl 2-(2-methoxy-3,5-dimethylanilino)acetate is COC(=O)CNc1cc(C)cc(C)c1OC.
What is the InChIKey of methyl 2-(2-methoxy-3,5-dimethylanilino)acetate?
The InChIKey is FZCZVZDGFOLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-9(2)12(16-4)10(6-8)13-7-11(14)15-3/h5-6,13H,7H2,1-4H3.
What are the key properties of methyl 2-(2-methoxy-3,5-dimethylanilino)acetate?
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate has a molecular weight of 223.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3,5-dimethylanilino)acetate is sourced from PubChem (CID 115232671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).