60592337 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 7 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 2 2 3 4 4 4 5 5 5 6 6 6 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 16 16 17 17 17 18 19 19 20 20 20 21 21 21 22 22 22 23 23 23 12 20 15 21 7 5 6 7 8 24 25 10 26 27 11 17 19 13 14 16 28 29 30 13 31 14 15 33 32 18 18 34 36 37 38 35 39 40 22 41 42 23 43 44 45 46 47 48 49 50 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 7 31 13 33 9 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 3.732 5.4641 5.4641 7.1962 7.1962 8.0622 6.3301 8.0622 5.4641 8.9282 6.3301 4.5981 5.4641 4.5981 5.4641 6.3301 8.0622 6.3301 8.9282 2.866 6.3301 2 6.3301 6.9841 6.5856 7.6636 8.4607 9.2382 9.4651 8.6182 6.8671 4.0611 4.9272 6.8671 6.8671 8.6822 8.0622 7.4422 8.9282 9.4651 3.2646 2.4675 6.9407 6.5422 1.69 1.4631 2.31 5.7101 6.3301 6.9501 -2.5 -3.5 2.5 2.5 3.5 2 2 4 -0.5 2.5 1 -2 0.5 -1 -2.5 -1 5 -2 3.5 -2 -4 -2.5 -5 4.0826 3.3923 1.525 1.525 1.9631 2.81 3.0369 0.69 -0.69 0.81 -0.69 -2.31 5 5.62 5 2.88 3.81 -1.525 -1.525 -4.1077 -3.4174 -1.9631 -2.81 -3.0369 -5 -5.62 -5 8 8 8 8 8 8 9 9 12 12 15 16 14 16 14 15 18 18 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 405 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371E07A3000000000000000000000000000000000000000300000000000000000010000001E00000000000C04E198063206830004008802215210008208002020000888000E88C80D262284311A863822A4C6118AA98780C0100E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylallyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-3-(3,4-diethoxyphenyl)-<I>N</I>-ethyl-<I>N</I>-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylallyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H27NO3/c1-6-20(14-15(4)5)19(21)12-10-16-9-11-17(22-7-2)18(13-16)23-8-3/h9-13H,4,6-8,14H2,1-3,5H3/b12-10+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LFRAJQLJBPMTSW-ZRDIBKRKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.19909372 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H27NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC(=C)C)C(=O)C=CC1=CC(=C(C=C1)OCC)OCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC(=C)C)C(=O)/C=C/C1=CC(=C(C=C1)OCC)OCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.19909372 23 0 0 0 1 1 0 0 1 -1