2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate

C19H16N2O3 — CID 171768253

IUPAC2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-2-18(22)24-12-11-21-19(23)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h2-10H,1,11-12H2,(H,21,23)
InChIKeyBFIRCBWKLRAHNJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.68
Rot. Bonds6

About 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate

2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate (PubChem CID 171768253) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate
PubChem CID171768253
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H16N2O3/c1-2-18(22)24-12-11-21-19(23)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h2-10H,1,11-12H2,(H,21,23)
InChIKeyBFIRCBWKLRAHNJ-UHFFFAOYSA-N
XLogP2.68
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate 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

8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
[4-(4-cyanophenyl)phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;(4-cyanophenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
CID 162222921
3-O-[4-(4-cyanophenyl)phenyl] 1-O-(2-prop-2-enoyloxyethyl) propanedioate
CID 175624912
[4-(4-cyanophenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59748502
2-[4-[2-[4-(4-cyanophenyl)phenyl]acetyl]phenoxy]ethyl prop-2-enoate
CID 89370586
6-[[4-(4-cyanophenyl)benzoyl]amino]hexyl 2-methylprop-2-enoate
CID 171768625
2-[4-[[4-(4-cyanophenyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 59642173
4-[4-(4-cyanophenyl)phenoxy]carbonyloxybutyl prop-2-enoate
CID 58234140
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
[4-(4-cyanophenyl)phenyl] 8-prop-2-enoyloxyoctanoate
CID 20586865

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate (CID 171768253) is 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate?
The InChIKey is BFIRCBWKLRAHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-18(22)24-12-11-21-19(23)17-9-7-16(8-10-17)15-5-3-14(13-20)4-6-15/h2-10H,1,11-12H2,(H,21,23).
What are the key properties of 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate?
2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate has a molecular weight of 320.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyanophenyl)benzoyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 171768253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).