60411166 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 51 52 53 54 55 56 8 8 8 8 7 6 6 6 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 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 14 15 15 16 16 17 17 18 19 19 20 21 21 23 23 23 24 24 24 25 25 25 14 18 23 20 24 22 25 10 14 43 7 8 26 27 9 28 29 10 30 31 11 12 32 13 33 34 35 36 37 38 39 40 41 42 15 16 44 17 45 18 19 21 20 46 22 22 47 48 49 50 51 52 53 54 55 56 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 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 10 5 8 13 33 3 1 15 14 44 16 45 17 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 49 50 51 52 53 54 55 56 4.5981 2.866 6.3301 4.5981 6.3301 7.1962 8.0622 7.1962 8.0622 6.3301 8.9282 7.1962 5.4641 5.4641 5.4641 4.5981 4.5981 3.732 5.4641 5.4641 3.732 4.5981 2 7.1962 3.732 6.9841 6.5856 8.2742 8.6728 7.4082 7.8067 8.0622 6.8671 9.2382 9.4651 8.6182 7.5062 6.6592 6.8862 5.7741 4.9272 5.1541 6.8671 6.001 4.0611 6.001 3.1951 1.69 1.4631 2.31 7.5062 7.7331 6.8862 3.422 3.1951 4.042 1 -2 -4 -5 1 3.5 4 2.5 5 2 5.5 5.5 2.5 0.5 -0.5 -1 -2 -2.5 -2.5 -3.5 -3.5 -4 -2.5 -3.5 -5.5 4.0826 3.3923 3.4174 4.1077 1.9174 2.6077 5.62 1.69 4.9631 5.81 6.0369 6.0369 5.81 4.9631 3.0369 2.81 1.9631 0.69 -0.81 -0.69 -2.19 -3.81 -1.9631 -2.81 -3.0369 -4.0369 -3.19 -2.9631 -4.9631 -5.81 -6.0369 3 8 8 8 8 8 8 10 17 17 18 19 20 21 13 18 19 21 20 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 411 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E07A3800000000000000000000000000000000000000300000000000000000010000001E00100000000D2CC19806320682C004008802215210008208002020000888800E88C80D272284B11A84302225D6158AA987D0E07C0E21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(1,5-dimethylhexyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(6-methylheptan-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-(6-methylheptan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(6-methylheptan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-(6-methylheptan-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-asaryl-N-(1,5-dimethylhexyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H31NO4/c1-14(2)8-7-9-15(3)21-20(22)11-10-16-12-18(24-5)19(25-6)13-17(16)23-4/h10-15H,7-9H2,1-6H3,(H,21,22)/b11-10+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HUUVLOZRPFZJSD-ZHACJKMWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 349.22530847 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H31NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 349.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CCCC(C)NC(=O)C=CC1=CC(=C(C=C1OC)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)CCCC(C)NC(=O)/C=C/C1=CC(=C(C=C1OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 349.22530847 25 1 0 1 1 1 0 0 1 -1