5281969 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 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 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 16 16 16 17 17 18 18 18 19 19 19 20 20 21 21 21 21 22 22 23 24 25 25 15 25 62 15 19 51 5 6 26 27 7 28 29 11 30 31 12 32 33 9 10 34 35 14 36 37 15 38 39 13 40 41 42 43 16 44 17 45 20 46 47 18 48 22 49 50 25 52 53 23 54 23 24 55 56 24 57 58 59 60 61 2 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 11 6 40 13 16 44 1 1 14 9 45 17 18 48 1 1 20 16 54 23 21 58 1 1 22 18 57 24 21 59 1 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 6.001 2.5369 5.135 6.001 5.135 6.8671 4.269 7.7331 8.5991 6.8671 6.8671 3.403 7.7331 9.4651 6.001 8.5991 10.3312 10.3312 4.269 9.4651 10.3312 11.1972 10.3312 11.1972 3.403 5.6025 6.3996 5.5335 4.7365 7.0791 7.4776 3.8705 4.6675 7.3346 8.1316 8.9976 8.2006 7.2656 6.4685 6.3301 3.713 2.866 3.093 7.7331 9.4651 8.2006 8.9976 10.8681 10.1191 9.7206 5.135 3.8705 4.6675 9.4651 9.7206 10.1191 11.7341 10.8681 11.7341 3.8015 3.0044 2 -3.31 -2.31 -1.81 0.69 1.19 1.19 0.69 -2.31 -1.81 -1.81 2.19 1.19 2.69 -2.31 -2.31 2.19 -1.81 -0.81 -2.31 2.69 1.19 -0.31 2.19 0.69 -1.81 0.2151 0.2151 1.665 1.665 0.6074 1.2977 0.2151 0.2151 -2.7849 -2.7849 -1.335 -1.335 -1.335 -1.335 2.5 1.7269 1.5 0.6531 3.31 -2.93 1.715 1.715 -2.12 -0.2274 -0.9177 -1.19 -2.7849 -2.7849 3.31 1.2977 0.6074 -0.62 2.5 1 -1.335 -1.335 -2 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 408 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 16 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07A3000000000000000000000000000000000000000000000000000000000000000001E00100800000800E18006020002C002008800215210000000002000000808810800080210120081000400000096009800031800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)eicosa-5,8,11,14-tetraenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-<I>N</I>-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)eicosa-5,8,11,14-tetraenamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LGEQQWMQCRIYKG-DOFZRALJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.282429423 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H37NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 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 2021.10.14 347.282429423 25 0 0 0 4 4 0 0 1 -1