70388614 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 8 8 8 8 8 7 6 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 1 1 1 2 2 3 3 4 5 5 6 6 6 7 7 8 9 10 10 10 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 18 19 19 19 21 21 21 22 22 22 23 23 7 14 8 15 9 16 20 23 48 19 20 45 8 9 11 12 11 12 13 24 25 17 26 18 27 28 21 29 30 22 31 32 20 33 36 37 38 23 34 35 39 40 41 42 43 44 46 47 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13 10 26 17 33 20 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 48 5.4641 7.1962 3.732 5.4641 2.866 3.732 5.4641 6.3301 4.5981 5.4641 6.3301 4.5981 5.4641 6.3301 8.0622 2.866 4.5981 6.3301 3.732 4.5981 8.9282 2 2.866 6.8671 4.0611 6.001 6.5422 6.9407 7.6636 8.4607 2.4675 3.2646 4.0611 3.9441 4.3426 6.9501 6.3301 5.7101 9.2382 9.4651 8.6182 2.31 1.4631 1.69 3.1951 2.654 2.2554 2.3291 3.655 2.655 2.655 -2.345 -4.845 -2.345 2.655 2.155 2.155 0.655 1.155 1.155 -0.345 4.155 2.155 2.155 -0.845 5.155 -3.345 -1.845 2.655 2.655 -3.845 0.845 0.845 -0.655 3.5724 4.2627 1.68 1.68 1.68 1.68 -0.535 -3.9276 -3.2373 5.155 5.775 5.155 2.1181 2.965 3.1919 3.1919 2.965 2.1181 -2.035 -3.2624 -3.9527 -5.155 8 8 8 8 8 8 7 7 8 9 10 10 8 9 11 12 11 12 0 Compound Canonicalized 5 2019.01.04 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 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3800000000000000000000000000000000000000300000000000000000010000001E00100800000C04E19806320682C006008802215210008208002020000888800E88C80F372284311A823822A5D6159AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(2-hydroxyethyl)-3-(3,4,5-triethoxyphenyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H25NO5/c1-4-21-14-11-13(7-8-16(20)18-9-10-19)12-15(22-5-2)17(14)23-6-3/h7-8,11-12,19H,4-6,9-10H2,1-3H3,(H,18,20)/b8-7+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RLKQRSDNPLQHCB-BQYQJAHWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.17327290 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H25NO5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC(=CC(=C1OCC)OCC)C=CC(=O)NCCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC(=CC(=C1OCC)OCC)/C=C/C(=O)NCCO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.17327290 23 0 0 0 1 1 0 0 1 -1