67997550 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 5 6 7 7 8 8 9 9 10 10 11 12 12 12 13 13 14 14 15 15 17 17 18 18 19 34 16 8 16 28 6 7 10 6 9 12 20 11 21 13 14 11 22 15 23 24 25 26 27 17 29 18 30 16 31 19 32 19 33 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 10 4 23 15 16 31 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 5.4641 3.732 2.866 4.5981 4.5981 3.732 6.3301 3.732 2 3.732 3.732 3.732 2 2.866 6.001 3.1951 4.5981 5.135 3.1951 6.6401 6.8671 6.0201 2.3291 4.269 1.4631 3.1951 4.269 1.4631 2.3291 -4.345 -0.345 -0.345 2.655 4.155 3.155 3.155 -1.345 4.655 1.655 4.155 4.655 -1.845 -1.845 1.155 0.155 -2.845 -2.845 -3.345 2.845 2.845 5.275 1.345 4.465 4.1181 4.965 5.1919 -0.035 -1.535 -1.535 1.465 -3.155 -3.155 -4.655 8 8 8 8 8 8 8 8 1 8 8 8 8 4 4 5 5 7 8 8 9 10 13 14 17 18 6 7 6 9 11 13 14 11 15 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 00000371C07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000C0C81980032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D987B0C0400E00400200000000000080040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(m-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-(3-methylphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-hydroxyphenyl)-3-(3-methylphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(3-methylphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(3-methylphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3-(m-tolyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H15NO2/c1-12-3-2-4-13(11-12)5-10-16(19)17-14-6-8-15(18)9-7-14/h2-11,18H,1H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XDGLOGNKYFUFCT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 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=C1)C=CC(=O)NC2=CC=C(C=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=CC=C1)C=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