57157494 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 8 8 7 6 6 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 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 18 18 19 19 20 21 21 21 22 22 23 23 24 45 17 11 17 34 5 6 10 7 8 12 25 15 26 16 27 13 14 21 28 29 30 18 19 13 31 32 17 33 20 35 20 36 22 37 23 38 39 40 41 42 24 43 24 44 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 4 5 10 6 12 25 3 1 9 13 21 14 17 33 3 1 12 6 31 13 9 32 3 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 2.866 4.5981 2.866 6.3301 6.3301 5.4641 5.4641 7.1962 4.5981 7.1962 2.866 5.4641 4.5981 3.732 5.4641 7.1962 3.732 3.732 2 6.3301 5.4641 3.732 2 2.866 4.9272 4.9272 7.7331 6.8862 7.7331 7.5062 6.001 4.0611 3.1951 2.3291 4.9272 7.7331 4.269 1.4631 6.3301 5.1541 6.001 5.7741 4.269 1.4631 2.3291 -5.845 -1.845 -1.845 3.155 4.155 2.655 4.655 4.655 0.155 2.655 -2.845 1.655 1.155 -0.345 5.655 5.655 -1.345 -3.345 -3.345 6.155 -0.345 -4.345 -4.345 -4.845 2.965 4.345 4.345 2.1181 2.345 3.1919 1.345 1.465 -0.035 -1.535 5.965 5.965 -3.035 -3.035 6.775 -0.8819 -0.655 0.1919 -4.655 -4.655 -6.155 1 8 8 8 8 1 8 8 1 8 8 8 8 8 8 4 5 5 7 8 9 11 11 12 15 16 18 19 22 23 6 7 8 15 16 14 18 19 13 20 20 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 490 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000C0C81980032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D907B0C0800E00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-methyl-7-phenyl-octa-2,4,6-trienamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-methyl-7-phenylocta-2,4,6-trienamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-hydroxyphenyl)-3-methyl-7-phenylocta-2,4,6-trienamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-methyl-7-phenylocta-2,4,6-trienamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-methyl-7-phenyl-octa-2,4,6-trienamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-methyl-7-phenyl-octa-2,4,6-trienamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H21NO2/c1-16(7-6-8-17(2)18-9-4-3-5-10-18)15-21(24)22-19-11-13-20(23)14-12-19/h3-15,23H,1-2H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 USKAGGWNBMSMKT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.157228913 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H21NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CC(=O)NC1=CC=C(C=C1)O)C=CC=C(C)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=CC(=O)NC1=CC=C(C=C1)O)C=CC=C(C)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.157228913 24 0 0 0 3 0 3 0 1 -1