70387621 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 8 7 7 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 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 11 11 11 12 12 13 13 13 14 14 15 15 16 17 18 18 18 10 10 11 30 16 17 5 6 10 19 7 20 21 8 22 23 9 24 25 9 26 27 28 29 12 13 31 14 15 32 33 34 16 35 17 36 18 37 38 39 40 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 2 1 1 1 1 1 1 11 2 12 13 31 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 3.732 4.5981 3.732 5.4641 6.3301 5.4641 7.1962 6.3301 7.1962 4.5981 3.732 3.732 2.866 2.866 4.5981 2.866 4.5981 2 5.4641 5.9316 6.7287 5.252 4.8535 7.4082 7.8067 6.7287 5.9316 7.8067 7.4082 5.135 3.732 3.176 2.3291 2.556 2.3291 5.135 5.135 1.69 1.4631 2.31 1.75 0.25 -3.25 1.75 1.25 2.75 1.75 3.25 2.75 1.25 -0.25 -1.25 0.25 -1.75 -1.75 -2.75 -2.75 -3.25 1.13 0.7751 0.7751 3.3326 2.6423 1.1674 1.8577 3.725 3.725 2.6423 3.3326 -0.06 0.37 0.7869 0.56 -0.2869 -1.44 -1.44 -3.06 -2.7131 -3.56 -3.7869 8 8 3 8 8 8 8 3 3 11 12 12 14 15 16 17 13 14 15 16 17 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 274 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 00000371E07320000000000000000000000000000000000000003C4000000000000000018000001E00100000000D28C19E043E8092C81000A8033577540082802031022008D8A1386498082072C09191842008609600C8C8071888008E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-methyl-4-pyridyl)ethyl]cyclohexanecarboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-methyl-4-pyridinyl)ethyl]cyclohexanecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[1-(2-methylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-methylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-methylpyridin-4-yl)ethyl]cyclohexanecarboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-methyl-4-pyridyl)ethyl]cyclohexanecarboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H22N2O/c1-11-10-14(8-9-16-11)12(2)17-15(18)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ATHYCHPDTFVVHU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.173213330 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H22N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 246.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=CC(=C1)C(C)NC(=O)C2CCCCC2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=CC(=C1)C(C)NC(=O)C2CCCCC2 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 2021.05.07 246.173213330 18 1 0 1 0 0 0 0 1 -1