60408079 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 8 8 8 8 7 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 1 2 2 3 3 4 5 5 5 6 6 6 7 7 7 7 8 8 9 9 10 10 10 11 11 11 12 13 13 13 14 14 15 15 16 16 17 18 19 21 21 21 22 22 22 23 23 23 20 21 18 22 19 23 12 8 10 11 9 12 30 8 9 24 25 26 27 28 29 31 32 33 34 35 36 14 15 16 17 17 39 19 37 18 38 40 20 20 41 42 43 44 45 46 47 48 49 1 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 14 12 39 17 40 13 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 4.5981 6.3301 2.866 4.5981 8.0622 6.3301 7.1962 7.1962 6.3301 8.0622 8.9282 5.4641 4.5981 5.4641 3.732 5.4641 4.5981 5.4641 3.732 4.5981 3.732 7.1962 2 7.4082 7.8067 6.9841 6.5856 6.1181 5.7196 6.8671 8.6822 8.0622 7.4422 8.6182 9.4651 9.2382 3.1951 6.001 6.001 4.0611 3.422 3.1951 4.042 7.5062 7.7331 6.8862 2.31 1.4631 1.69 -4.75 -3.75 -3.75 1.25 4.25 1.25 2.75 3.75 2.25 5.25 3.75 0.75 -1.75 -0.25 -2.25 -2.25 -0.75 -3.25 -3.25 -3.75 -5.25 -3.25 -3.25 2.1674 2.8577 4.3326 3.6423 2.8326 2.1423 0.94 5.25 5.87 5.25 3.2131 3.44 4.2869 -1.94 -1.94 -0.56 -0.44 -4.7131 -5.56 -5.7869 -3.7869 -2.94 -2.7131 -2.7131 -2.94 -3.7869 8 8 8 8 8 8 13 13 15 16 18 19 15 16 19 18 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 360 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 1 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 00000371E07B3800000000000000000000000000000000000000300000000000000000010000001E00100000000C04C19806320683C004008802215210008208002020000888800E88C80D272284711A84302225D6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[3-(dimethylamino)propyl]-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H26N2O4/c1-19(2)10-6-9-18-16(20)8-7-13-11-14(21-3)17(23-5)15(12-13)22-4/h7-8,11-12H,6,9-10H2,1-5H3,(H,18,20)/b8-7+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GHQZPEPVZDRXEA-BQYQJAHWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.18925731 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H26N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)CCCNC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)CCCNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.18925731 23 0 0 0 1 1 0 0 1 -1