N-Phenethylacrylamide
Inhibitor information
- CovInDB Inhibitor
- CI000445
- Name
- N-Phenethylacrylamide
- Molecular Formula
- C11H13NO
- Molecular Weight
- 175.23 g/mol
- Structure
-
- IUPAC Name
- N-(2-phenylethyl)prop-2-enamide
- InChI
- InChI=1S/C11H13NO/c1-2-11(13)12-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,12,13)
- InChI Key
- YMRDXPCIIDUQFY-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)NCCc1ccccc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
175.23 g/mol
Computed by RDKit
- logP
-
1.94
Computed by ALOGPS
- logS
-
-2.37
Computed by ALOGPS
- Heavy Atom Count
-
13
Computed by RDKit
- Ring Count
-
1
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
1
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
4
Computed by RDKit
- Topological Polar Surface Area
-
29.1 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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