25237322 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 8 8 8 7 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 2 2 3 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 14 14 15 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 24 6 8 23 24 22 5 16 22 39 7 9 10 16 12 25 26 14 27 15 28 13 17 18 13 29 30 15 31 32 33 19 34 20 35 21 36 21 37 38 23 40 41 42 43 44 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 4 -1 5 16 33 7 2 1 12 8 29 13 30 11 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 7.1962 13.2583 11.5263 9.7942 10.6603 8.0622 8.9282 6.3301 8.0622 9.7942 3.732 5.4641 4.5981 8.9282 9.7942 8.9282 3.732 2.866 2.866 2 2 11.5263 12.3923 14.1244 5.9316 6.7287 7.5252 10.3312 5.4641 4.5981 8.9282 10.3312 8.3913 4.269 2.866 2.866 1.4631 1.4631 10.6603 11.9938 12.7908 13.8144 14.6613 14.4344 -0.25 1.25 2.25 1.25 0.75 -0.75 -0.25 -0.75 -1.75 -0.75 -0.25 -0.25 -0.75 -2.25 -1.75 0.75 0.75 -0.75 1.25 -0.25 0.75 1.25 0.75 0.75 -1.225 -1.225 -2.06 -0.44 0.37 -1.37 -2.87 -2.06 1.06 1.06 -1.37 1.87 -0.56 1.06 0.13 0.2751 0.2751 0.2131 0.44 1.2869 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 9 10 11 11 14 17 18 19 20 7 9 10 14 15 17 18 15 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 417 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00180000000C04E19806320680620400A802317310021208002020001A88006608980E26A284311E833820A4D81108A80780C0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-[2-[(E)-cinnamyl]oxyphenyl]methyleneamino]-2-methoxy-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-<I>N</I>-[(<I>Z</I>)-[2-[(<I>E</I>)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methoxy-N-[(Z)-[2-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(Z)-[2-[(E)-cinnamyl]oxybenzylidene]amino]-2-methoxy-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N2O3/c1-23-15-19(22)21-20-14-17-11-5-6-12-18(17)24-13-7-10-16-8-3-2-4-9-16/h2-12,14H,13,15H2,1H3,(H,21,22)/b10-7+,20-14- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KLALRPBYHIRDLO-VSYZJNMKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.14739250 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COCC(=O)NN=CC1=CC=CC=C1OCC=CC2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COCC(=O)N/N=C\C1=CC=CC=C1OC/C=C/C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.14739250 24 0 0 0 2 2 0 0 1 -1