60592317 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 16 17 17 18 18 18 19 20 20 20 21 21 22 22 22 23 23 23 11 16 13 23 7 5 6 7 8 24 25 10 26 27 12 20 21 14 15 17 28 29 30 13 19 14 31 15 32 33 18 34 35 19 38 22 36 37 39 40 41 42 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 7 31 14 32 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 4.5981 2.866 4.5981 6.3301 6.3301 7.1962 5.4641 7.1962 4.5981 8.0622 4.5981 5.4641 3.732 4.5981 3.732 5.4641 5.4641 5.4641 5.4641 7.1962 8.0622 6.3301 2 6.1181 5.7196 6.7976 7.5947 8.3722 8.5991 7.7522 6.001 4.0611 3.1951 6.0747 5.6762 4.8535 5.252 6.001 6.001 7.8162 7.1962 6.5762 8.0622 8.5991 6.0201 6.8671 6.6401 2.31 1.4631 1.69 -3.25 -2.25 2.75 2.75 3.75 2.25 2.25 4.25 -0.25 2.75 -2.25 1.25 -1.75 0.75 -0.75 -3.75 -0.75 -4.75 -1.75 5.25 3.75 -5.25 -1.75 4.3326 3.6423 1.775 1.775 2.2131 3.06 3.2869 0.94 1.06 -0.44 -3.8577 -3.1674 -4.6423 -5.3326 -0.44 -2.06 5.25 5.87 5.25 3.13 4.06 -5.7869 -5.56 -4.7131 -1.2131 -1.44 -2.2869 8 8 8 8 8 8 9 9 11 11 13 17 15 17 13 19 15 19 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)-N-ethyl-3-(3-methoxy-4-propoxy-phenyl)-N-(2-methylallyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-ethyl-3-(3-methoxy-4-propoxyphenyl)-N-(2-methylprop-2-enyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-ethyl-3-(3-methoxy-4-propoxyphenyl)-<I>N</I>-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-ethyl-3-(3-methoxy-4-propoxyphenyl)-N-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-ethyl-3-(3-methoxy-4-propoxy-phenyl)-N-(2-methylprop-2-enyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-ethyl-3-(3-methoxy-4-propoxy-phenyl)-N-(2-methylallyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H27NO3/c1-6-12-23-17-10-8-16(13-18(17)22-5)9-11-19(21)20(7-2)14-15(3)4/h8-11,13H,3,6-7,12,14H2,1-2,4-5H3/b11-9+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DUAMAPIMKXOTFB-PKNBQFBNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 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 CCCOC1=C(C=C(C=C1)C=CC(=O)N(CC)CC(=C)C)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1=C(C=C(C=C1)/C=C/C(=O)N(CC)CC(=C)C)OC 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