ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate

C15H20N2O3 — CID 81281990

IUPACethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
SMILESCCOC(=O)CN(CCOC)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-4-20-15(18)11-17(7-8-19-3)14-6-5-13(10-16)12(2)9-14/h5-6,9H,4,7-8,11H2,1-3H3
InChIKeyREUDUKNVKYQSEK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds7

About ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate

ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate (PubChem CID 81281990) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
PubChem CID81281990
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
SMILESCCOC(=O)CN(CCOC)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-4-20-15(18)11-17(7-8-19-3)14-6-5-13(10-16)12(2)9-14/h5-6,9H,4,7-8,11H2,1-3H3
InChIKeyREUDUKNVKYQSEK-UHFFFAOYSA-N
XLogP1.88
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 115367316
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
CID 63093411
ethyl 2-[3-cyano-5-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 102815800
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
ethyl 2-(3-methyl-4-nitro-N-propylanilino)acetate
CID 62007213
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
ethyl 2-[4-cyano-N-[4-(dipropylamino)butyl]anilino]acetate
CID 143415653
2-(N-(3-ethoxy-3-oxopropyl)-3,4-dimethylanilino)acetic acid
CID 23053111
2-[4-cyano-N-(cyclopropylmethyl)-3-methylanilino]acetic acid
CID 81274415
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile;4-[2-methoxyethyl(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 160873758

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate?
The IUPAC name of ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate (CID 81281990) is ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate.
What is the SMILES notation for ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate?
The canonical SMILES for ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate is CCOC(=O)CN(CCOC)c1ccc(C#N)c(C)c1.
What is the InChIKey of ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate?
The InChIKey is REUDUKNVKYQSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-20-15(18)11-17(7-8-19-3)14-6-5-13(10-16)12(2)9-14/h5-6,9H,4,7-8,11H2,1-3H3.
What are the key properties of ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate?
ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate is sourced from PubChem (CID 81281990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).