68350309 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 8 8 7 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 2 3 3 3 4 4 5 5 6 6 6 7 9 9 10 10 11 11 12 12 12 13 13 13 14 14 15 16 16 17 17 18 18 19 19 20 7 37 8 4 8 21 5 10 11 12 7 8 13 9 16 17 14 22 15 23 24 25 26 27 28 29 15 30 31 18 32 19 33 20 34 20 35 36 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 6 8 13 7 9 1 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 5.4641 5.4641 3.732 3.732 2.866 4.5981 5.4641 4.5981 6.3301 4.5981 2.866 2 3.732 4.5981 3.732 6.3301 7.1962 7.1962 8.0622 8.0622 3.1951 5.135 2.3291 2.31 1.4631 1.69 4.042 3.1951 3.422 5.135 3.732 5.7932 7.1962 7.1962 8.5991 8.5991 4.9272 2.845 -0.155 -0.155 -1.155 -1.655 1.345 1.845 0.345 1.345 -1.655 -2.655 -1.155 1.845 -2.655 -3.155 0.345 1.845 -0.155 1.345 0.345 0.155 -1.345 -2.965 -0.6181 -0.845 -1.6919 2.3819 2.155 1.3081 -2.965 -3.775 0.035 2.465 -0.775 1.655 0.035 3.155 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 9 9 10 11 14 16 17 18 19 5 10 11 16 17 14 15 15 18 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 369 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000C0C81980032C082C00200880225525000820000212200088801006CC8082622C0919184700864D401C8D90790C0200E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-hydroxy-2-methyl-N-(o-tolyl)-3-phenyl-prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-hydroxy-2-methyl-N-(2-methylphenyl)-3-phenyl-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-3-hydroxy-2-methyl-<I>N</I>-(2-methylphenyl)-3-phenylprop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-hydroxy-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-2-methyl-N-(2-methylphenyl)-3-oxidanyl-3-phenyl-prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-hydroxy-2-methyl-N-(o-tolyl)-3-phenyl-acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H17NO2/c1-12-8-6-7-11-15(12)18-17(20)13(2)16(19)14-9-4-3-5-10-14/h3-11,19H,1-2H3,(H,18,20)/b16-13+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WFJRUUKPKXBHHS-DTQAZKPQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.32 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC(=O)C(=C(C2=CC=CC=C2)O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC(=O)/C(=C(\C2=CC=CC=C2)/O)/C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.125928785 20 0 0 0 1 1 0 0 1 -1