62109 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 73 74 8 7 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 1 1 2 2 2 3 3 3 4 4 4 4 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 18 19 19 19 21 21 21 22 22 22 23 23 23 24 24 25 25 25 26 26 26 20 20 22 64 24 25 26 5 6 27 28 7 29 30 8 31 32 9 33 34 10 35 36 11 37 38 12 39 40 13 41 42 14 43 44 15 45 46 16 47 48 17 49 50 18 51 52 19 53 54 20 55 56 21 57 58 59 60 61 23 62 63 24 65 66 67 68 69 70 71 72 73 74 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 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 72 73 74 7.1962 6.3301 2.866 14.1244 14.9904 13.2583 15.8564 12.3923 16.7224 11.5263 17.5885 10.6603 18.4545 9.7942 19.3205 8.9282 20.1865 8.0622 21.0526 7.1962 21.9186 5.4641 4.5981 3.732 2 2.866 14.5229 13.7258 14.5919 15.3889 12.8598 13.6569 16.2549 15.4579 12.7908 11.9938 16.3239 17.121 11.1278 11.9248 17.987 17.1899 11.0588 10.2617 18.056 18.853 9.3957 10.1928 19.719 18.922 9.3267 8.5297 19.788 20.5851 7.6636 8.4607 21.4511 20.654 21.6086 22.4555 22.2286 5.8626 5.0656 6.3301 4.1996 4.9966 4.1306 3.3335 2.31 1.4631 1.69 2.246 2.866 3.486 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 -1.25 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 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7869 -0.56 0.2869 0.7249 0.7249 -0.87 -0.7249 -0.7249 0.7249 0.7249 0.7869 0.56 -0.2869 -1.25 -1.87 -1.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 292 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 20 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F07B2000000000000000000000000000000000000000000000000000000000000000001E00100000000800C18004020003C0000008000110100000000000000000008108000000001200C0000400000016008000011888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[3-(dimethylamino)propyl]octadecanamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[3-(dimethylamino)propyl]octadecanamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[3-(dimethylamino)propyl]octadecanamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[3-(dimethylamino)propyl]octadecanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[3-(dimethylamino)propyl]stearamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C23H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h4-22H2,1-3H3,(H,24,26) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WWVIUVHFPSALDO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 8.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 368.376664 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C23H48N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 368.64002 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 32.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 368.376664 26 0 0 0 0 0 0 0 1 2