methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate

C14H16N2O5 — CID 81296575

IUPACmethyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cc(OC)ccc1C#N
InChIInChI=1S/C14H16N2O5/c1-19-11-5-4-10(7-15)12(6-11)16(8-13(17)20-2)9-14(18)21-3/h4-6H,8-9H2,1-3H3
InChIKeyYCJZUGOTITVRKK-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.72
Rot. Bonds6

About methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate

methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate (PubChem CID 81296575) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
PubChem CID81296575
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cc(OC)ccc1C#N
InChIInChI=1S/C14H16N2O5/c1-19-11-5-4-10(7-15)12(6-11)16(8-13(17)20-2)9-14(18)21-3/h4-6H,8-9H2,1-3H3
InChIKeyYCJZUGOTITVRKK-UHFFFAOYSA-N
XLogP0.72
TPSA88.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-cyano-5-methoxy-N-methylanilino)acetate
CID 81299754
2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
CID 81299044
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
2-(N-butan-2-yl-2-cyano-5-methoxyanilino)acetic acid
CID 81299462
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
CID 107933593
methyl 2-(2-bromo-4-cyano-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 82796975
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-(1-hydroxypropan-2-ylamino)-4-methoxybenzonitrile
CID 81305599
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate?
The IUPAC name of methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate (CID 81296575) is methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate.
What is the SMILES notation for methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate?
The canonical SMILES for methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate is COC(=O)CN(CC(=O)OC)c1cc(OC)ccc1C#N.
What is the InChIKey of methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate?
The InChIKey is YCJZUGOTITVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-19-11-5-4-10(7-15)12(6-11)16(8-13(17)20-2)9-14(18)21-3/h4-6H,8-9H2,1-3H3.
What are the key properties of methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate?
methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate has a molecular weight of 292.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate is sourced from PubChem (CID 81296575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).