1744 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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 8 8 7 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 22 22 24 24 25 25 26 26 27 27 28 28 23 29 62 23 24 57 5 7 10 11 6 30 31 8 32 33 9 12 9 34 35 13 36 37 38 39 40 41 14 42 43 44 45 15 46 16 17 47 48 49 18 50 19 51 20 52 21 22 23 53 54 55 56 25 26 27 58 28 59 29 60 29 61 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 12 7 42 14 15 46 3 1 15 14 16 17 18 50 3 1 18 17 51 19 20 52 3 1 20 19 22 21 23 53 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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 6.8671 2.5369 6.001 15.5273 16.3933 16.3933 14.6613 15.5273 14.6613 16.0273 15.0273 13.7953 13.7953 12.9292 12.0632 12.0632 11.1972 10.3312 9.4651 8.5991 7.7331 8.5991 6.8671 5.135 4.269 5.135 3.403 4.269 3.403 17.0039 16.6054 16.6054 17.0039 15.1288 15.9258 16.5643 16.3373 15.4904 15.5643 14.7173 14.4904 13.7953 13.4853 13.2583 14.1053 12.9292 12.6832 12.0632 11.4432 11.1972 10.3312 9.4651 7.7331 9.2191 8.5991 7.9791 6.001 4.269 5.672 2.866 4.269 2 1.25 1.75 -0.25 0.25 -0.25 -1.25 -0.25 -1.75 -1.25 1.116 1.116 0.25 -1.75 -0.25 0.25 1.25 -0.25 0.25 -0.25 0.25 -0.25 1.25 0.25 0.25 -0.25 1.25 0.25 1.75 1.25 -0.3577 0.3326 -1.8326 -1.1423 -2.225 -2.225 0.806 1.653 1.426 1.426 1.653 0.806 0.87 -1.2131 -2.06 -2.2869 -0.87 1.25 1.87 1.25 -0.87 0.87 -0.87 -0.87 1.25 1.87 1.25 -0.87 -0.87 1.56 -0.06 2.37 1.44 1 1 1 1 8 8 8 8 8 8 12 15 18 20 24 24 25 26 27 28 14 17 19 21 25 26 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 726 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07A3000000000000000000000000000000000000000304000000000000000010000001E00100800000E0C81900032C682C00200880225525000820000212200088800066CC8082622C2919384700864D411C8D907B0C0C00F00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AKJHMTWEGVYYSE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 391.251129295 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H33NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 391.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C 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 2021.10.14 391.251129295 29 0 0 0 4 0 4 0 1 -1