68192357 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 8 8 7 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 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 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 16 16 17 18 18 19 19 20 20 21 23 23 23 24 24 24 25 26 26 27 27 28 28 29 17 22 6 17 38 22 24 50 25 28 7 9 30 8 31 32 11 12 33 34 35 13 14 15 13 36 14 37 39 40 16 19 18 41 23 20 22 21 42 21 43 44 45 46 47 25 48 49 26 27 51 29 52 29 53 54 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 6 3 7 9 30 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 44 45 46 47 48 49 50 51 52 53 54 8.0622 2.866 6.3301 3.732 3.732 6.3301 5.4641 5.4641 7.1962 5.4641 4.5981 6.3301 4.5981 6.3301 5.4641 4.5981 7.1962 4.5981 6.3301 5.4641 6.3301 3.732 7.1962 2.866 2.866 2 2 3.732 2.866 6.8671 5.252 4.8535 6.8862 7.7331 7.5062 4.0611 6.8671 5.7932 4.0611 6.8671 4.0611 6.8671 5.4641 6.8671 7.8162 7.1962 6.5762 2.654 2.2554 4.269 1.4631 1.4631 4.269 2.866 5.25 -1.75 5.25 -3.25 -5.25 4.25 3.75 2.75 3.75 0.75 2.25 2.25 1.25 1.25 -0.25 -0.75 5.75 -1.75 -0.75 -2.25 -1.75 -2.25 6.75 -3.75 -4.75 -5.25 -6.25 -6.25 -6.75 4.56 4.3326 3.6423 3.2131 3.44 4.2869 2.56 2.56 5.56 0.94 0.94 -0.44 -0.44 -2.87 -2.06 6.75 7.37 6.75 -3.1674 -3.8577 -3.56 -4.94 -6.56 -6.56 -7.37 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 8 10 10 11 12 15 15 16 18 19 20 25 26 27 28 25 28 9 11 12 13 14 13 14 16 19 18 20 21 21 26 27 29 29 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 530 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C608000000000000001D000001E00100000000C28C19E043E8092C81000A8033577540082802035022008D8A13864D80860F2C09591942108609600C8C9871888C08EC0000200000000008000040000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-N-(2-pyridylmethyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-<I>N</I>-(pyridin-2-ylmethyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-N-(pyridin-2-ylmethyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-N-(pyridin-2-ylmethyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-(2-acetamidopropyl)phenyl]-N-(2-pyridylmethyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H25N3O2/c1-17(27-18(2)28)14-19-9-11-20(12-10-19)21-6-5-7-22(15-21)24(29)26-16-23-8-3-4-13-25-23/h3-13,15,17H,14,16H2,1-2H3,(H,26,29)(H,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GETMYZJKBJIESC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.19467705 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H25N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCC3=CC=CC=N3)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)NCC3=CC=CC=N3)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.19467705 29 1 0 1 0 0 0 0 1 -1