(E)-N-(4-hexylphenyl)but-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI002640
- Name
- (E)-N-(4-hexylphenyl)but-2-enamide
- Molecular Formula
- C16H23NO
- Molecular Weight
- 245.18 g/mol
- Structure
-
- IUPAC Name
- (E)-N-(4-hexylphenyl)but-2-enamide
- InChI
- InChI=1S/C16H23NO/c1-3-5-6-7-9-14-10-12-15(13-11-14)17-16(18)8-4-2/h4,8,10-13H,3,5-7,9H2,1-2H3,(H,17,18)/b8-4+
- InChI Key
- NIGSEPKOJYBKJC-XBXARRHUSA-N
- Canonical SMILES
- C/C=C/C(=O)Nc1ccc(CCCCCC)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
245.18 g/mol
Computed by RDKit
- logP
-
4.94
Computed by ALOGPS
- logS
-
-5.01
Computed by ALOGPS
- Heavy Atom Count
-
18
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
-
7
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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