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(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide

PubChem CID: 16122394

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Compound Synonyms CHEBI:70103, (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide, CHEMBL3338738, Q27138442, (E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)non-8-enamide
Topological Polar Surface Area 47.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 394.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name (E)-9-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)non-8-enamide
Prediction Hob 0.0
Xlogp 5.2
Molecular Formula C20H29NO3
Prediction Swissadme 0.0
Inchi Key RIIYLNBWAREERF-VQHVLOKHSA-N
Fcsp3 0.55
Logs -4.214
Rotatable Bond Count 10.0
Logd 4.065
Compound Name (8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide
Prediction Hob Swissadme 0.0
Exact Mass 331.215
Formal Charge 0.0
Monoisotopic Mass 331.215
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 331.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -4.9228271999999995
Inchi InChI=1S/C20H29NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7,9,11-13,16H,3-6,8,10,14-15H2,1-2H3,(H,21,22)/b9-7+
Smiles CC(C)CNC(=O)CCCCCC/C=C/C1=CC2=C(C=C1)OCO2
Nring 2.0
Defined Bond Stereocenter Count 1.0

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