ethyl 2-(2-cyano-5-methoxyanilino)acetate

C12H14N2O3 — CID 81299411

IUPACethyl 2-(2-cyano-5-methoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(OC)ccc1C#N
InChIInChI=1S/C12H14N2O3/c1-3-17-12(15)8-14-11-6-10(16-2)5-4-9(11)7-13/h4-6,14H,3,8H2,1-2H3
InChIKeyLSFOHMYKHRMDGS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.54
Rot. Bonds5

About ethyl 2-(2-cyano-5-methoxyanilino)acetate

ethyl 2-(2-cyano-5-methoxyanilino)acetate (PubChem CID 81299411) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-(2-cyano-5-methoxyanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-5-methoxyanilino)acetate
PubChem CID81299411
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-(2-cyano-5-methoxyanilino)acetate
SMILESCCOC(=O)CNc1cc(OC)ccc1C#N
InChIInChI=1S/C12H14N2O3/c1-3-17-12(15)8-14-11-6-10(16-2)5-4-9(11)7-13/h4-6,14H,3,8H2,1-2H3
InChIKeyLSFOHMYKHRMDGS-UHFFFAOYSA-N
XLogP1.54
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[[2-(2-cyano-5-methoxyanilino)acetyl]amino]acetic acid
CID 81299645
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
3-(2-cyano-5-methoxyanilino)-2-methylpropanoic acid
CID 81299735
ethyl 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetate
CID 71818203
2-[(3-amino-2,2-difluoropropyl)amino]-4-methoxybenzonitrile
CID 114384341
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-[(2-ethyl-4-hydroxybutyl)amino]-4-methoxybenzonitrile
CID 81306719
6-(2-cyano-5-methoxyanilino)-4-ethylhexanoic acid
CID 81296744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-5-methoxyanilino)acetate?
The IUPAC name of ethyl 2-(2-cyano-5-methoxyanilino)acetate (CID 81299411) is ethyl 2-(2-cyano-5-methoxyanilino)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-5-methoxyanilino)acetate?
The canonical SMILES for ethyl 2-(2-cyano-5-methoxyanilino)acetate is CCOC(=O)CNc1cc(OC)ccc1C#N.
What is the InChIKey of ethyl 2-(2-cyano-5-methoxyanilino)acetate?
The InChIKey is LSFOHMYKHRMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(15)8-14-11-6-10(16-2)5-4-9(11)7-13/h4-6,14H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(2-cyano-5-methoxyanilino)acetate?
ethyl 2-(2-cyano-5-methoxyanilino)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-5-methoxyanilino)acetate is sourced from PubChem (CID 81299411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).