ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate

C19H18N2O3 — CID 41484605

IUPACethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)16-8-10-17(11-9-16)21-18(22)12-7-14-3-5-15(13-20)6-4-14/h3-6,8-11H,2,7,12H2,1H3,(H,21,22)
InChIKeyICERFTWFTSXHIO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.31
Rot. Bonds6

About ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate

ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate (PubChem CID 41484605) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
PubChem CID41484605
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)16-8-10-17(11-9-16)21-18(22)12-7-14-3-5-15(13-20)6-4-14/h3-6,8-11H,2,7,12H2,1H3,(H,21,22)
InChIKeyICERFTWFTSXHIO-UHFFFAOYSA-N
XLogP3.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-(4-cyanophenyl)propanoylamino]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

4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
[2-(4-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592589
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481
2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
CID 19172803
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate (CID 41484605) is ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1.
What is the InChIKey of ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate?
The InChIKey is ICERFTWFTSXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)16-8-10-17(11-9-16)21-18(22)12-7-14-3-5-15(13-20)6-4-14/h3-6,8-11H,2,7,12H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate?
ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate is sourced from PubChem (CID 41484605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).