445588 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 63 64 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 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 17 17 17 18 18 18 18 19 19 20 20 20 21 22 22 22 24 24 25 25 26 26 27 27 28 28 23 29 64 23 24 59 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 19 47 48 49 50 20 21 22 51 21 52 23 53 54 55 56 57 58 25 26 27 60 28 61 29 62 29 63 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 18 20 21 22 51 3 1 12 7 42 14 46 15 2 1 15 14 17 16 47 19 2 1 19 16 52 21 55 18 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 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6.4641 8.1962 8.1962 3 3 3.866 3.866 4.732 4.732 2 2.5 3.866 5.5981 4.732 4.732 5.5981 3.866 6.4641 5.5981 7.3301 6.4641 5.5981 7.3301 8.1962 7.3301 9.0622 7.3301 9.0622 8.1962 2.3894 2.788 3.4675 4.2646 4.9441 5.3426 2 1.38 2 3.0369 2.19 1.9631 3.3291 5.9081 6.135 5.2881 5.269 6.135 4.176 3.3291 3.556 6.4641 5.0611 7.5422 7.9407 7.001 5.9081 5.0611 5.2881 8.7331 6.7932 9.5991 6.7932 9.5991 8.7331 2.595 6.595 2.595 -5.405 -6.405 -6.905 -4.905 -6.405 -5.405 -5.405 -4.539 -3.905 -4.905 -3.405 -2.405 -1.905 -1.905 0.595 -0.905 1.095 -0.405 1.095 2.095 3.595 4.095 4.095 5.095 5.095 5.595 -6.2973 -6.9876 -7.38 -7.38 -6.9876 -6.2973 -4.785 -5.405 -6.025 -4.229 -4.002 -4.849 -3.595 -5.4419 -4.595 -4.3681 -3.715 -2.215 -1.3681 -1.595 -2.4419 1.215 -0.595 0.5124 1.2027 -0.715 1.6319 1.405 0.5581 2.285 3.785 3.785 5.405 5.405 6.905 3 8 8 8 8 8 8 18 24 24 25 26 27 28 22 25 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 673 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A3000000000000000000000000000000000000000304000000000000000010000001E00100800000F0C81900032C682C00200880225525000820000212200088801066C88082632C2919384700864D411C8D807B0C0C00F00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-4,6,8-trienamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (4<I>E</I>,6<I>E</I>,8<I>E</I>)-<I>N</I>-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H35NO2/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/h6,8-9,11-16,20,28H,7,10,17-18H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LJXKZQLNISFIGJ-BPKQYIJVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.266779359 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H35NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 393.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)CC(=O)NC2=CC=C(C=C2)O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CC(=O)NC2=CC=C(C=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 2021.05.07 393.266779359 29 1 0 1 3 3 0 0 1 -1