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(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

PubChem CID: 14135319

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Compound Synonyms CHEMBL469922, SCHEMBL1028829
Topological Polar Surface Area 49.3
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 390.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name (2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Prediction Hob 1.0
Xlogp 3.5
Molecular Formula C18H29NO2
Prediction Swissadme 0.0
Inchi Key HSFPMLIZJAVYHM-GTDPEVRFSA-N
Fcsp3 0.5
Logs -3.159
Rotatable Bond Count 10.0
Logd 1.602
Compound Name (2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Prediction Hob Swissadme 0.0
Exact Mass 291.22
Formal Charge 0.0
Monoisotopic Mass 291.22
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 291.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 4.0
Esol -3.450197
Inchi InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5-,9-8-,13-12+,15-14+
Smiles CC/C=C\C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
Nring 0.0
Defined Bond Stereocenter Count 4.0