propyl 2-(2,6-dimethylanilino)acetate

C13H19NO2 — CID 54052717

IUPACpropyl 2-(2,6-dimethylanilino)acetate
SMILESCCCOC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C13H19NO2/c1-4-8-16-12(15)9-14-13-10(2)6-5-7-11(13)3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyLUAZSUBXDLTBJQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

About propyl 2-(2,6-dimethylanilino)acetate

propyl 2-(2,6-dimethylanilino)acetate (PubChem CID 54052717) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is propyl 2-(2,6-dimethylanilino)acetate.

Molecular Properties

Compound Namepropyl 2-(2,6-dimethylanilino)acetate
PubChem CID54052717
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namepropyl 2-(2,6-dimethylanilino)acetate
SMILESCCCOC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C13H19NO2/c1-4-8-16-12(15)9-14-13-10(2)6-5-7-11(13)3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyLUAZSUBXDLTBJQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
[(E)-but-2-enyl] 2-(2,6-dimethylanilino)acetate
CID 70524075
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524
butyl 2-(2,6-dibromoanilino)acetate
CID 107598810
propyl 2-(3-chloroanilino)acetate
CID 60835010
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
[2-(2,6-dimethylanilino)acetyl] (E)-but-2-enoate
CID 88730831
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
propyl 2-(2-nitroanilino)acetate
CID 175410298

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2,6-dimethylanilino)acetate?
The IUPAC name of propyl 2-(2,6-dimethylanilino)acetate (CID 54052717) is propyl 2-(2,6-dimethylanilino)acetate.
What is the SMILES notation for propyl 2-(2,6-dimethylanilino)acetate?
The canonical SMILES for propyl 2-(2,6-dimethylanilino)acetate is CCCOC(=O)CNc1c(C)cccc1C.
What is the InChIKey of propyl 2-(2,6-dimethylanilino)acetate?
The InChIKey is LUAZSUBXDLTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-8-16-12(15)9-14-13-10(2)6-5-7-11(13)3/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of propyl 2-(2,6-dimethylanilino)acetate?
propyl 2-(2,6-dimethylanilino)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2,6-dimethylanilino)acetate is sourced from PubChem (CID 54052717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).