67997862 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 8 8 7 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 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 15 15 17 17 18 18 19 34 16 9 16 29 5 6 8 7 10 11 20 12 21 13 22 14 15 23 24 25 12 26 27 16 28 17 30 18 31 19 32 19 33 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 8 4 22 13 16 28 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 2.866 4.5981 2.866 4.5981 5.4641 3.732 5.4641 4.5981 2.866 6.3301 3.732 4.5981 3.732 3.732 2 3.732 3.732 2 2.866 3.1951 6.001 5.135 6.0201 6.8671 6.6401 3.1951 4.5981 3.1951 2.3291 4.269 1.4631 4.269 1.4631 2.3291 -4.345 -0.345 -0.345 2.655 3.155 3.155 4.155 1.655 -1.345 2.655 4.155 4.655 1.155 -1.845 -1.845 0.155 -2.845 -2.845 -3.345 2.845 4.465 1.345 2.1181 2.345 3.1919 4.465 5.275 1.465 -0.035 -1.535 -1.535 -3.155 -3.155 -4.655 8 8 8 8 8 1 8 8 8 8 8 8 8 4 4 5 6 7 8 9 9 11 14 15 17 18 5 6 7 11 12 13 14 15 12 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 319 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000C0C81980032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D987B0C0800E80400000001000000080000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(o-tolyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(2-methylphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(o-tolyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H15NO2/c1-12-4-2-3-5-13(12)6-11-16(19)17-14-7-9-15(18)10-8-14/h2-11,18H,1H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OBOOQXMQXCITLE-UHFFFAOYSA-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 2021.10.14 253.110278721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H15NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=CC=C1C=CC(=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 2021.10.14 253.110278721 19 0 0 0 1 0 1 0 1 -1