methyl 2-(2-cyano-N,5-dimethylanilino)acetate

C12H14N2O2 — CID 62308388

IUPACmethyl 2-(2-cyano-N,5-dimethylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(C)ccc1C#N
InChIInChI=1S/C12H14N2O2/c1-9-4-5-10(7-13)11(6-9)14(2)8-12(15)16-3/h4-6H,8H2,1-3H3
InChIKeyQVEXVLNWWOSKBG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.48
Rot. Bonds3

About methyl 2-(2-cyano-N,5-dimethylanilino)acetate

methyl 2-(2-cyano-N,5-dimethylanilino)acetate (PubChem CID 62308388) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 2-(2-cyano-N,5-dimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-N,5-dimethylanilino)acetate
PubChem CID62308388
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 2-(2-cyano-N,5-dimethylanilino)acetate
SMILESCOC(=O)CN(C)c1cc(C)ccc1C#N
InChIInChI=1S/C12H14N2O2/c1-9-4-5-10(7-13)11(6-9)14(2)8-12(15)16-3/h4-6H,8H2,1-3H3
InChIKeyQVEXVLNWWOSKBG-UHFFFAOYSA-N
XLogP1.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)amino]acetic Acid
CID 10725942
2,2'-[(3-Methylphenyl)imino]diacetic acid
CID 765166
Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester
CID 174709
3-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 1811415
Ethyl 2-[2-cyano-4-(dimethylamino)anilino]-2-oxoacetate
CID 12715738
2-[Ethyl(3-methylphenyl)amino]ethyl acetate
CID 119964
Methyl 2-((4-cyanophenyl)amino)propanoate
CID 43515132
Ethyl 2-[2-cyano-6-(dimethylamino)anilino]-2-oxoacetate
CID 12715742
Methyl 2-[4-(3-methylphenyl)piperazin-1-yl]acetate
CID 28880294
N-(3-Cyanophenyl)glycine ethyl ester
CID 11593660
Methyl 2-[(2-methylphenyl)amino]acetate
CID 18793909
Ethanol, 2,2'-[(3-methylphenyl)imino]bis-, 1,1'-diacetate
CID 88970

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-N,5-dimethylanilino)acetate?
The IUPAC name of methyl 2-(2-cyano-N,5-dimethylanilino)acetate (CID 62308388) is methyl 2-(2-cyano-N,5-dimethylanilino)acetate.
What is the SMILES notation for methyl 2-(2-cyano-N,5-dimethylanilino)acetate?
The canonical SMILES for methyl 2-(2-cyano-N,5-dimethylanilino)acetate is COC(=O)CN(C)c1cc(C)ccc1C#N.
What is the InChIKey of methyl 2-(2-cyano-N,5-dimethylanilino)acetate?
The InChIKey is QVEXVLNWWOSKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-4-5-10(7-13)11(6-9)14(2)8-12(15)16-3/h4-6H,8H2,1-3H3.
What are the key properties of methyl 2-(2-cyano-N,5-dimethylanilino)acetate?
methyl 2-(2-cyano-N,5-dimethylanilino)acetate has a molecular weight of 218.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyano-N,5-dimethylanilino)acetate is sourced from PubChem (CID 62308388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).