2-Phenylethylamine; N-(3-Methyl-2-butenoyl)
AlkaPlorer ID: AK052043
Synonym: 3-Methyl-N-(2-phenylethyl)-2-butenamide, 3-Methyl-N-phenethylcrotonamide
IUPAC Name: 3-methyl-N-(2-phenylethyl)but-2-enamide
Structure
SMILES: CC(C)=CC(=O)NCCC1=CC=CC=C1
InChI: InChI=1S/C13H17NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKey: FCKSARQRQMJRHX-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 203.28500000000005
TPSA？: 29.1
MolLogP？: 2.311500000000001
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 19952.6 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 11906.1 | nM | None |
| Homo sapiens | Geminin | Potency | 6513.1 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 3981.1 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 521.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 1835.6 | nM | None |
| Homo sapiens | Parathyroid hormone receptor | Potency | 100000.0 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 12589.3 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 11220.2 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 13459.1 | nM | None |
| Photuris pennsylvanica | Luciferase | Potency | 10000.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5858.4 | nM | None |
| None | Unchecked | Potency | 919.6 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 20596.2 | nM | None |