This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Lanyuamide I

PubChem CID: 5318939

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Lanyuamide I, (2E,4E)-N-((2S)-Butan-2-yl)-8-oxotetradeca-2,4-dienimidate, (2E,4E)-N-[(2S)-Butan-2-yl]-8-oxotetradeca-2,4-dienimidate, CHEMBL480491, SCHEMBL26130745, (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide, 8-oxo-tetradeca-2,4-dienoic acid (2-hydroxy-2-methyl-propyl)amide, 249898-38-2
Topological Polar Surface Area 46.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 343.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name (2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
Prediction Hob 1.0
Xlogp 4.3
Molecular Formula C18H31NO2
Prediction Swissadme 0.0
Inchi Key AMCKSJIHLFXIIZ-DQBULIGTSA-N
Fcsp3 0.6666666666666666
Logs -3.62
Rotatable Bond Count 12.0
Logd 3.679
Compound Name Lanyuamide I
Prediction Hob Swissadme 0.0
Exact Mass 293.235
Formal Charge 0.0
Monoisotopic Mass 293.235
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 293.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -3.8283962000000002
Inchi InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
Smiles CCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C
Nring 0.0
Defined Bond Stereocenter Count 2.0