68541375 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 8 7 7 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 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 11 11 12 12 13 13 13 14 14 15 16 16 17 18 18 19 19 20 20 21 10 4 10 33 15 17 5 6 22 7 23 24 8 25 26 9 27 28 9 29 30 31 32 11 12 13 34 14 15 35 36 37 16 38 39 17 18 19 20 40 21 41 21 42 43 2 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 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 11 10 12 13 34 3 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 7.2641 8.1301 4.666 8.9962 8.9962 9.8622 9.8622 10.7282 10.7282 7.2641 6.3981 5.5321 6.3981 4.666 5.5321 3.8 3.8 2.9061 2.9061 2 2 8.9962 8.3856 8.7841 10.2607 9.4637 9.4637 10.2607 11.3388 10.9403 10.9403 11.3388 8.1301 6.935 7.0181 6.3981 5.7781 4.666 6.069 2.9132 2.9132 1.4643 1.4643 -0.9827 0.5173 -1.4827 0.0173 -0.9827 0.5173 -1.4827 0.0173 -0.9827 0.0173 0.5173 0.0173 1.5173 0.5173 -0.9827 0.0173 -0.9827 0.552 -1.5173 0.0381 -1.0035 0.6373 -0.875 -1.5653 0.9923 0.9923 -1.9576 -1.9576 -0.0903 0.5999 -1.5653 -0.875 1.1373 0.8273 1.5173 2.1373 1.5173 1.1373 -1.2927 1.172 -2.1373 0.3502 -1.3156 8 8 3 8 8 8 8 8 8 8 8 8 3 3 11 12 12 14 16 16 17 18 19 20 15 17 13 14 15 16 17 18 19 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 351 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F000001E00100000000D28C19E043EC0F2C81000A8033577540082802031022008D8A13864980820F2C09591842008609600C8C8071C88C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolinyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-cyclohexyl-2-quinolin-3-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-quinolin-3-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-quinolin-3-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-cyclohexyl-2-(3-quinolyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H22N2O/c1-13(18(21)20-16-8-3-2-4-9-16)15-11-14-7-5-6-10-17(14)19-12-15/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BLQAXOPAEDMZED-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.173213330 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H22N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC2=CC=CC=C2N=C1)C(=O)NC3CCCCC3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC2=CC=CC=C2N=C1)C(=O)NC3CCCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.173213330 21 1 0 1 0 0 0 0 1 -1