70388591 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 48 49 50 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 6 1 1 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 12 13 13 14 14 15 15 15 16 17 17 18 19 20 21 22 22 23 24 24 24 25 25 25 26 26 26 14 40 17 24 18 25 19 26 16 10 50 10 10 13 16 35 12 13 27 28 14 29 30 31 32 33 34 20 21 22 23 18 19 20 21 36 37 23 38 39 41 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 22 15 38 23 16 39 3 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 48 49 50 4.8796 8.3437 10.0757 6.6116 8.3437 1.732 0 0.866 6.6116 0.866 5.7456 5.7456 6.6116 4.8796 8.3437 7.4776 8.3437 9.2097 7.4776 9.2097 7.4776 8.3437 7.4776 9.2097 10.9417 5.7456 5.5335 5.135 5.9576 6.3562 6.8237 7.2222 4.6675 4.269 6.0747 9.7466 6.9407 8.8806 6.9407 4.3426 9.5197 9.7466 8.8997 10.6317 11.4787 11.2517 5.4356 5.2087 6.0556 2.269 0.31 10.31 9.31 9.31 4.31 6.4235 6.4235 4.9235 4.31 5.9235 2.81 1.81 3.31 1.31 7.31 4.81 9.31 8.81 8.81 7.81 7.81 6.31 5.81 10.81 8.81 8.81 3.3926 2.7023 1.2274 1.9177 2.7274 3.4177 1.8926 1.2023 4.62 7.5 7.5 6 6.12 0 10.2731 11.12 11.3469 8.2731 8.5 9.3469 9.3469 8.5 8.2731 6.1135 8 8 8 8 8 8 1 15 15 17 17 18 19 22 20 21 18 19 20 21 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 358 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3C00000000000000000000000000000000000000300000000000000000010000001E00140800000C04E19806320682C046008902215211008208002020000888800E88C80D372284B11A84702225D6158AA987A0E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxybutyl)-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 N-(4-hydroxybutyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide;nitric acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-hydroxybutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;nitric acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxybutyl)-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;N-(4-oxidanylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hydroxybutyl)-3-(3,4,5-trimethoxyphenyl)acrylamide;nitric acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H23NO5.HNO3/c1-20-13-10-12(11-14(21-2)16(13)22-3)6-7-15(19)17-8-4-5-9-18;2-1(3)4/h6-7,10-11,18H,4-5,8-9H2,1-3H3,(H,17,19);(H,2,3,4) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NORCKHWOFFPDOH-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.15326573 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H24N2O8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCCCCO.[N+](=O)(O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCCCCO.[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 2021.05.07 372.15326573 26 0 0 0 1 0 1 0 2 -1