56597771 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 65 66 67 68 69 70 71 72 8 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 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 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 19 19 19 19 20 20 20 21 21 21 22 24 24 25 25 26 26 26 27 27 27 24 27 25 69 23 17 23 26 6 7 28 29 8 30 31 9 32 33 10 34 35 11 36 37 12 38 39 13 40 41 14 42 43 15 44 45 16 46 47 18 48 49 21 50 51 24 25 52 22 53 20 22 54 55 23 56 57 58 59 60 61 62 63 64 65 66 67 68 70 71 72 1 1 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 17 4 24 25 52 1 1 18 15 53 22 61 19 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 65 66 67 68 69 70 71 72 20.1865 19.3205 16.7224 17.5885 8.0622 7.1962 8.9282 6.3301 9.7942 5.4641 10.6603 4.5981 11.5263 3.732 12.3923 2.866 18.4545 13.2583 14.9904 15.8564 2 14.1244 16.7224 19.3205 18.4545 17.5885 21.0526 8.4607 7.6636 6.7976 7.5947 8.5297 9.3267 6.7287 5.9316 10.1928 9.3957 5.0656 5.8626 10.2617 11.0588 4.9966 4.1996 11.9248 11.1278 3.3335 4.1306 11.9938 12.7908 3.2646 2.4675 18.4545 13.2583 15.3889 14.5919 15.4579 16.2549 1.69 1.4631 2.31 14.1244 18.922 19.719 18.2424 17.8439 16.9685 17.5885 18.2085 19.3205 20.7426 21.5895 21.3626 -0.31 1.19 0.69 -0.81 -0.31 -0.81 -0.81 -0.31 -0.31 -0.81 -0.81 -0.31 -0.31 -0.81 -0.81 -0.31 -0.31 -0.31 -0.31 -0.81 -0.81 -0.81 -0.31 -0.81 0.69 -1.81 -0.81 0.1649 0.1649 -1.285 -1.285 -1.285 -1.285 0.1649 0.1649 0.1649 0.1649 -1.285 -1.285 -1.285 -1.285 0.1649 0.1649 0.1649 0.1649 -1.285 -1.285 -1.285 -1.285 0.1649 0.1649 -0.93 0.31 0.1649 0.1649 -1.285 -1.285 -0.2731 -1.12 -1.3469 -1.43 -1.285 -1.285 1.2726 0.5823 -1.81 -2.43 -1.81 1.81 -1.3469 -1.12 -0.2731 6 17 4 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 358 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 19 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A3000000000000000000000000000000000000000000000000000000000000000001E00000800000828E180060200030006008800215210000000002000000808010800080210120081000540000186009800030080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(1R)-1-(hydroxymethyl)-2-methoxy-ethyl]-N-methyl-octadec-4-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methyl-4-octadecenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-<I>N</I>-[(2<I>R</I>)-1-hydroxy-3-methoxypropan-2-yl]-<I>N</I>-methyloctadec-4-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-N-methyloctadec-4-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(2R)-1-methoxy-3-oxidanyl-propan-2-yl]-N-methyl-octadec-4-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-N-[(1R)-2-hydroxy-1-(methoxymethyl)ethyl]-N-methyl-octadec-4-enamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24(2)22(20-25)21-27-3/h16-17,22,25H,4-15,18-21H2,1-3H3/b17-16+/t22-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CJAVPRNATZCNLN-NBRGKURFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.33994430 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H45NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCC=CCCC(=O)N(C)C(CO)COC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCC/C=C/CCC(=O)N(C)[C@H](CO)COC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.33994430 27 1 1 0 1 1 0 0 1 -1