3-Phenylpropanoic acid; Amide
AlkaPlorer ID: AK042193
Synonym: 3-Phenylpropanamide
IUPAC Name: 3-phenylpropanamide
Structure
SMILES: N=C(O)CCC1=CC=CC=C1
InChI: InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKey: VYIBCOSBNVFEIW-UHFFFAOYSA-N
Reference
PubChem CID: 7625
CAS: 102-93-2
LOTUS: LTS0024797
SuperNatural Ⅲ: SN0403359
COCONUT: CNP0190126
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Barbarea vulgaris | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Barbarea verna | Barbarea | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 149.19299999999998
TPSA？: 44.08
MolLogP？: 2.15447
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | log1/Ki | 2.15 | None | 10.1021/jm00214a029 |