57808277 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 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 2 2 3 3 3 4 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 16 22 43 16 17 38 5 6 7 8 9 10 23 24 25 26 27 28 29 30 31 11 32 12 33 13 34 13 35 14 15 36 16 37 18 19 20 39 21 40 22 41 22 42 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 14 13 36 15 37 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 4.5981 2.866 2.866 4.5981 4.5981 4.5981 5.5981 3.5981 5.4641 3.732 5.4641 3.732 4.5981 4.5981 3.732 3.732 2.866 2 3.732 2 3.732 2.866 5.2181 4.5981 3.9781 5.5981 6.2181 5.5981 3.5981 2.9781 3.5981 6.001 3.1951 6.001 3.1951 5.135 3.1951 2.3291 1.4631 4.269 1.4631 4.269 2.3291 -1.345 -5.345 -1.345 4.655 3.655 5.655 4.655 4.655 3.155 3.155 2.155 2.155 1.655 0.655 0.155 -0.845 -2.345 -2.845 -2.845 -3.845 -3.845 -4.345 5.655 6.275 5.655 4.035 4.655 5.275 5.275 4.655 4.035 3.465 3.465 1.845 1.845 0.345 0.465 -1.035 -2.535 -2.535 -4.155 -4.155 -5.655 8 8 8 8 8 8 8 8 8 8 8 8 5 5 9 10 11 12 17 17 18 19 20 21 9 10 11 12 13 13 18 19 20 21 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 381 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000E0C81980032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D987B0C0C00FC0400000000000008080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-tert-butylphenyl)-N-(4-hydroxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-tert-butylphenyl)-N-(4-hydroxyphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>E</I>)-3-(4-<I>tert</I>-butylphenyl)-<I>N</I>-(4-hydroxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-tert-butylphenyl)-N-(4-hydroxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-tert-butylphenyl)-N-(4-hydroxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-tert-butylphenyl)-N-(4-hydroxyphenyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21NO2/c1-19(2,3)15-7-4-14(5-8-15)6-13-18(22)20-16-9-11-17(21)12-10-16/h4-13,21H,1-3H3,(H,20,22)/b13-6+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WCUNSLSQWSBQHP-AWNIVKPZSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.157228913 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H21NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 295.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)O 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 2021.10.14 295.157228913 22 0 0 0 1 1 0 0 1 -1