45482343 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 8 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 2 3 3 4 5 5 5 6 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 18 19 19 19 20 22 22 22 23 23 23 24 24 24 25 26 26 27 27 27 28 28 28 20 21 26 27 25 21 22 62 7 8 29 30 9 31 32 10 33 34 11 35 36 12 37 38 13 39 40 14 41 42 15 43 44 16 45 46 18 47 48 17 49 50 19 53 54 20 51 52 55 56 57 21 23 58 59 24 60 61 25 63 64 26 65 66 28 67 68 69 70 71 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 63 64 65 66 67 68 69 70 71 10.6603 9.7942 3.732 5.4641 8.9282 16.7224 15.8564 17.5885 14.9904 18.4545 14.1244 19.3205 13.2583 20.1865 12.3923 21.0526 21.9186 11.5263 22.7846 10.6603 9.7942 8.0622 7.1962 6.3301 5.4641 4.5981 2.866 2 16.3239 17.121 16.2549 15.4579 17.987 17.1899 14.5919 15.3889 18.056 18.853 14.5229 13.7258 19.719 18.922 12.8598 13.6569 19.788 20.5851 12.7908 11.9938 21.4511 20.654 11.1278 11.9248 21.5201 22.3171 23.0946 23.3215 22.4746 7.6636 8.4607 7.5947 6.7976 8.9282 5.9316 6.7287 4.1996 4.9966 2.4675 3.2646 2.31 1.4631 1.69 1.25 -1.25 0.25 1.25 0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 -0.2869 0.56 0.7869 -0.7249 -0.7249 0.7249 0.7249 0.87 -0.7249 -0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7869 0.56 -0.2869 0 Compound Canonicalized 5 2010.05.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 409 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 21 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A3800000000000000000000000000000000000000000000000000000000000000001E00100000000804E18006020002C00400080081101002000000000000000081C800000000120080240600000416008000019C98828000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-ethoxy-4-oxo-pentyl)-2-oxo-hexadecanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-ethoxy-4-oxidanylidene-pentyl)-2-oxidanylidene-hexadecanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-ethoxy-4-keto-pentyl)-2-keto-palmitamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22(26)23(27)24-19-16-17-21(25)20-28-4-2/h3-20H2,1-2H3,(H,24,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PGHVBLIRCHESKV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.31920885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H43NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)COCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)COCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.31920885 28 0 0 0 0 0 0 0 1 -1