70388242 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 8 8 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 -1 10 1 1 1 2 2 3 3 4 4 5 6 6 7 8 9 9 9 11 11 11 11 12 12 13 13 13 14 14 15 16 17 18 19 19 20 20 21 22 23 23 23 24 24 24 25 25 25 14 23 15 24 16 25 19 37 21 10 47 10 10 12 21 34 12 19 26 27 28 29 17 18 20 15 16 17 18 30 31 32 33 22 35 22 36 38 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 20 13 35 22 36 21 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 7.404 5.672 9.136 10.8681 7.404 1.732 0 0.866 9.136 0.866 10.0021 9.136 7.404 7.404 6.538 8.27 6.538 8.27 10.0021 7.404 8.27 8.27 6.538 4.8059 10.0021 10.2141 10.6127 8.924 8.5255 6.001 8.807 9.79 9.3915 9.673 6.8671 8.807 10.8681 6.228 6.001 6.848 5.1159 4.269 4.4959 10.3121 10.539 9.6921 2.269 1.0369 2.0369 2.0369 10.0369 7.0369 6.0785 6.0785 4.5785 7.0369 5.5785 8.5369 8.0369 4.0369 2.0369 2.5369 2.5369 3.5369 3.5369 9.5369 5.0369 6.5369 5.5369 0.5369 2.5369 2.5369 7.9543 8.6446 8.6195 7.9293 3.8469 3.8469 10.1195 9.4293 6.7269 5.3469 5.2269 10.6569 1.0739 0.2269 0 3.0739 2.8469 2 2 2.8469 3.0739 5.7685 8 8 8 8 8 8 13 13 14 14 15 16 17 18 15 16 17 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 345 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733C00000000000000000000000000000000000000300000000000000000010000001E00140800000C04E19806320682C046008902215211008208002020000888800E88C80D372284311A84702227D6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;nitric acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide;nitric acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;nitric acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;nitric acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 nitric acid;(E)-N-(3-oxidanylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(3-hydroxypropyl)-3-(3,4,5-trimethoxyphenyl)acrylamide;nitric acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H21NO5.HNO3/c1-19-12-9-11(10-13(20-2)15(12)21-3)5-6-14(18)16-7-4-8-17;2-1(3)4/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,16,18);(H,2,3,4)/b6-5+; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QBRLEKWCLSVYOU-IPZCTEOASA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13761566 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H22N2O8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCCCO.[N+](=O)(O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCCCO.[N+](=O)(O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 143 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.13761566 25 0 0 0 1 1 0 0 2 -1