ethyl 2-(2-cyano-N-methylanilino)pentanoate

C15H20N2O2 — CID 83041345

IUPACethyl 2-(2-cyano-N-methylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)c1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-4-8-14(15(18)19-5-2)17(3)13-10-7-6-9-12(13)11-16/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyVHKRUHIIGCCFJG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds6

About ethyl 2-(2-cyano-N-methylanilino)pentanoate

ethyl 2-(2-cyano-N-methylanilino)pentanoate (PubChem CID 83041345) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-(2-cyano-N-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-N-methylanilino)pentanoate
PubChem CID83041345
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-(2-cyano-N-methylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)c1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-4-8-14(15(18)19-5-2)17(3)13-10-7-6-9-12(13)11-16/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyVHKRUHIIGCCFJG-UHFFFAOYSA-N
XLogP2.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-cyano-N-methylanilino)pentanoate 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

2-(2-cyano-N-methylanilino)pentanehydrazide
CID 83046795
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551916
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylate
CID 80569603
(2S)-2-[[(2-cyanophenyl)-methylcarbamoyl]amino]pentanoic acid
CID 107567318
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
ethyl 2-(4-cyano-N-methylanilino)butanoate
CID 64660938
ethyl 2-[1-cyanopropan-2-yl(methyl)amino]pentanoate
CID 83041447

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-N-methylanilino)pentanoate?
The IUPAC name of ethyl 2-(2-cyano-N-methylanilino)pentanoate (CID 83041345) is ethyl 2-(2-cyano-N-methylanilino)pentanoate.
What is the SMILES notation for ethyl 2-(2-cyano-N-methylanilino)pentanoate?
The canonical SMILES for ethyl 2-(2-cyano-N-methylanilino)pentanoate is CCCC(C(=O)OCC)N(C)c1ccccc1C#N.
What is the InChIKey of ethyl 2-(2-cyano-N-methylanilino)pentanoate?
The InChIKey is VHKRUHIIGCCFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-8-14(15(18)19-5-2)17(3)13-10-7-6-9-12(13)11-16/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(2-cyano-N-methylanilino)pentanoate?
ethyl 2-(2-cyano-N-methylanilino)pentanoate has a molecular weight of 260.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-N-methylanilino)pentanoate is sourced from PubChem (CID 83041345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).