ethyl 2-(2-cyano-6-methylanilino)acetate

C12H14N2O2 — CID 107106524

IUPACethyl 2-(2-cyano-6-methylanilino)acetate
SMILESCCOC(=O)CNc1c(C)cccc1C#N
InChIInChI=1S/C12H14N2O2/c1-3-16-11(15)8-14-12-9(2)5-4-6-10(12)7-13/h4-6,14H,3,8H2,1-2H3
InChIKeyQFMAGHGSIWMVAR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-(2-cyano-6-methylanilino)acetate

ethyl 2-(2-cyano-6-methylanilino)acetate (PubChem CID 107106524) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl 2-(2-cyano-6-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-6-methylanilino)acetate
PubChem CID107106524
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl 2-(2-cyano-6-methylanilino)acetate
SMILESCCOC(=O)CNc1c(C)cccc1C#N
InChIInChI=1S/C12H14N2O2/c1-3-16-11(15)8-14-12-9(2)5-4-6-10(12)7-13/h4-6,14H,3,8H2,1-2H3
InChIKeyQFMAGHGSIWMVAR-UHFFFAOYSA-N
XLogP1.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
N-tert-butyl-2-(2-cyano-6-methylanilino)acetamide
CID 107107106
ethyl 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetate
CID 71818203
methyl 6-(2-cyano-6-methylanilino)hexanoate
CID 107111714
2-(2-cyano-6-methylanilino)ethylurea
CID 107107166
propyl 2-(2,6-dimethylanilino)acetate
CID 54052717
2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbenzonitrile
CID 107111136
2-(3-ethoxypropylamino)-3-methylbenzonitrile
CID 107106379
ethyl 2-(2,6-dinitroanilino)acetate
CID 14002039
3-(2-cyano-6-methylanilino)-3-methylbutanamide
CID 106096700
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
2-[(3-amino-2,2-difluoropropyl)amino]-3-methylbenzonitrile
CID 107111500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-6-methylanilino)acetate?
The IUPAC name of ethyl 2-(2-cyano-6-methylanilino)acetate (CID 107106524) is ethyl 2-(2-cyano-6-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-6-methylanilino)acetate?
The canonical SMILES for ethyl 2-(2-cyano-6-methylanilino)acetate is CCOC(=O)CNc1c(C)cccc1C#N.
What is the InChIKey of ethyl 2-(2-cyano-6-methylanilino)acetate?
The InChIKey is QFMAGHGSIWMVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-16-11(15)8-14-12-9(2)5-4-6-10(12)7-13/h4-6,14H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-cyano-6-methylanilino)acetate?
ethyl 2-(2-cyano-6-methylanilino)acetate has a molecular weight of 218.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-6-methylanilino)acetate is sourced from PubChem (CID 107106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).