ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate

C18H17N3O3 — CID 26438599

IUPACethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)12-20-14-7-5-6-13(10-14)11-19/h3-10,20H,2,12H2,1H3,(H,21,22)
InChIKeyKUZNKXAWDFNYOM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate

ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate (PubChem CID 26438599) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
PubChem CID26438599
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1cccc(C#N)c1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)12-20-14-7-5-6-13(10-14)11-19/h3-10,20H,2,12H2,1H3,(H,21,22)
InChIKeyKUZNKXAWDFNYOM-UHFFFAOYSA-N
XLogP2.79
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate 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

ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
[2-(3-cyanoanilino)-2-oxoethyl] 2-(butylamino)benzoate
CID 7152462
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
ethyl 2-[3-(3-fluoroanilino)propanoylamino]benzoate
CID 109042084
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 109011291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate (CID 26438599) is ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1cccc(C#N)c1.
What is the InChIKey of ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate?
The InChIKey is KUZNKXAWDFNYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-18(23)15-8-3-4-9-16(15)21-17(22)12-20-14-7-5-6-13(10-14)11-19/h3-10,20H,2,12H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-cyanoanilino)acetyl]amino]benzoate is sourced from PubChem (CID 26438599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).