ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate

C14H18N2O2 — CID 55031101

IUPACethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-4-16(10-14(17)18-5-2)13-7-6-12(9-15)8-11(13)3/h6-8H,4-5,10H2,1-3H3
InChIKeyKCWZVIHACODEBX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate

ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate (PubChem CID 55031101) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
PubChem CID55031101
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(C#N)cc1C
InChIInChI=1S/C14H18N2O2/c1-4-16(10-14(17)18-5-2)13-7-6-12(9-15)8-11(13)3/h6-8H,4-5,10H2,1-3H3
InChIKeyKCWZVIHACODEBX-UHFFFAOYSA-N
XLogP2.26
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate (CID 55031101) is ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate is CCOC(=O)CN(CC)c1ccc(C#N)cc1C.
What is the InChIKey of ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate?
The InChIKey is KCWZVIHACODEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16(10-14(17)18-5-2)13-7-6-12(9-15)8-11(13)3/h6-8H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate?
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate has a molecular weight of 246.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate is sourced from PubChem (CID 55031101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).