Secondary metabolite: Putrescine-1,4-dicinnamide Summary Molecular formula: C22H24N2O2
SMILES: O=C(/C=C/c1ccccc1)NCCCCNC(=O)/C=C/c1ccccc1 InChI: InChI=1S/C22H24N2O2/c25-21(15-13-19-9-3-1-4-10-19)23-17-7-8-18-24-22(26)16-14-20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2,(H,23,25)(H,24,26)/b15-13+,16-14+ InChIKey: NXPDEWPVRYWKQX-WXUKJITCSA-N
Chemical classification Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides Class: Cinnamic acids and derivatives
Sub class: Cinnamic acid amides
Synonymous chemical names: putrescine-1,4-dicinnamide
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 348.45 Log P RDKit 3.43 Topological polar surface area (Å2 ) RDKit 58.2 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 22 Number of heavy atoms RDKit 26 Number of heteroatoms RDKit 4 Number of nitrogen atoms RDKit 2 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 0 Stereochemical complexity RDKit 0 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 18 Number of sp3 hybridized carbon atoms RDKit 4 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.18 Shape complexity RDKit 0.18 Number of rotatable bonds SwissADME 11 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 2 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 2 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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