60424404 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 8 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 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 12 12 12 13 13 14 14 14 15 15 16 16 17 18 18 19 20 20 22 22 22 23 23 23 24 24 24 11 17 22 19 23 21 24 9 10 11 7 8 9 25 8 26 27 28 29 30 31 12 32 33 13 14 34 35 15 36 37 38 39 16 40 17 18 20 19 41 21 21 42 43 44 45 46 47 48 49 50 51 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 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 13 11 36 15 40 16 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 4.5981 2.866 6.3301 4.5981 6.3301 7.1962 8.1962 7.6962 6.3301 7.1962 5.4641 8.0622 5.4641 8.9282 4.5981 4.5981 3.732 5.4641 5.4641 3.732 4.5981 2 7.1962 3.732 6.7578 8.3038 8.7788 8.1711 7.2212 6.1181 5.7196 6.7976 7.5947 8.4607 7.6636 6.001 8.6182 9.4651 9.2382 4.0611 6.001 3.1951 1.69 1.4631 2.31 7.5062 7.7331 6.8862 3.422 3.1951 4.042 2.067 -0.933 -2.933 -3.933 2.067 3.567 3.567 4.433 3.067 1.567 1.567 2.067 0.567 1.567 0.067 -0.933 -1.433 -1.433 -2.433 -2.433 -2.933 -1.433 -2.433 -4.433 4.0054 2.9564 3.779 4.8315 4.8315 3.6496 2.9593 1.092 1.092 2.5419 2.5419 0.257 1.03 1.257 2.1039 0.377 -1.123 -2.743 -0.8961 -1.743 -1.97 -2.97 -2.123 -1.8961 -3.8961 -4.743 -4.97 8 8 8 8 8 8 16 16 17 18 19 20 17 18 20 19 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 422 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3800000000000000000000001800000000000000300000000000000000010000001E00000000000D04C198063206830004008802215210008208002020000888000E88C80D272284B11A84302225C6158AA987C0E03C0E21000108000840004200021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(cyclopropylmethyl)-N-propyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(cyclopropylmethyl)-N-propyl-3-(2,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-<I>N</I>-(cyclopropylmethyl)-<I>N</I>-propyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(cyclopropylmethyl)-N-propyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-(cyclopropylmethyl)-N-propyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-asaryl-N-(cyclopropylmethyl)-N-propyl-acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H27NO4/c1-5-10-20(13-14-6-7-14)19(21)9-8-15-11-17(23-3)18(24-4)12-16(15)22-2/h8-9,11-12,14H,5-7,10,13H2,1-4H3/b9-8+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HISZTKQEJKWCST-CMDGGOBGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.19400834 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H27NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CC1CC1)C(=O)C=CC2=CC(=C(C=C2OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(CC1CC1)C(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 333.19400834 24 0 0 0 1 1 0 0 1 -1