2-Phenylethylamine; N-Ac
AlkaPlorer ID: AK008977
Synonym: N-(2-Phenylethyl)acetamide, N-Phenethylacetamide
IUPAC Name: N-(2-phenylethyl)acetamide
Structure
SMILES: CC(O)=NCCC1=CC=CC=C1
InChI: InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N
Reference
Venturicidin C, a new 20-membered macrolide produced by Streptomyces sp. TS-2-2
PubChem CID: 70143
CAS: 877-95-2
LOTUS: LTS0084849
SuperNatural Ⅲ: SN0230853
COCONUT: CNP0298057
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Tricladium sp. | Tricladium | Tricladiaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Gracilaria | Gracilariaceae | Gracilariales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 163.22
TPSA？: 32.59
MolLogP？: 2.2055
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 9.72 | % | 10.6019/CHEMBL4513135 |
| Candida albicans | Candida albicans | Inhibition | 1.13 | % | 10.6019/CHEMBL4513135 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -3.47 | % | 10.6019/CHEMBL4513135 |
| Escherichia coli | Escherichia coli | Inhibition | 11.94 | % | 10.6019/CHEMBL4513135 |
| Gallus gallus | Melatonin receptor | Ki | nan | nM | 10.1021/jm00072a008 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Homo sapiens | HT-1080 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Homo sapiens | WI-38 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 14.22 | % | 10.6019/CHEMBL4513135 |
| Mus musculus | NIH3T3 | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | IC50 | nan | nM | 10.1021/jm00072a008 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 15.71 | % | 10.6019/CHEMBL4513135 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 12.71 | % | 10.6019/CHEMBL4513135 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.2c01032 |
| None | Unchecked | log1/Ki | 1.94 | None | 10.1021/jm00214a029 |