70122963 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 8 8 7 7 7 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 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 11 11 11 12 12 12 14 14 14 15 15 16 16 17 18 18 19 19 20 21 21 22 22 23 23 24 10 13 10 11 34 13 39 40 17 23 7 8 13 25 9 26 27 10 28 29 15 16 12 30 31 14 32 33 17 35 36 18 37 19 38 21 20 41 20 42 43 22 44 24 45 24 46 47 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 6 7 13 8 25 2 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 5.4641 4.5981 6.3301 2.866 10.6603 3.732 2.866 4.5981 2.866 5.4641 7.1962 8.0622 3.732 8.9282 2 3.732 9.7942 2 3.732 2.866 9.7942 10.6603 11.5263 11.5263 3.732 2.654 2.2554 4.1996 4.9966 7.5947 6.7976 7.6636 8.4607 6.3301 9.3267 8.5297 1.4631 4.269 2.866 2.3291 1.4631 4.269 2.866 9.2573 10.6603 12.0632 12.0632 1.69 2.19 0.19 2.19 0.69 0.69 0.19 0.19 -0.81 0.69 0.69 0.19 1.69 0.69 -1.31 -1.31 0.19 -2.31 -2.31 -2.81 -0.81 -1.31 0.19 -0.81 0.07 0.7726 0.0823 -0.2849 -0.2849 1.165 1.165 -0.2849 -0.2849 -0.43 1.165 1.165 -1 -1 2.81 1.88 -2.62 -2.62 -3.43 -1.12 -1.93 0.5 -1.12 8 8 5 8 8 8 8 8 8 8 8 8 8 5 5 6 9 9 15 16 17 18 19 21 22 23 17 23 8 15 16 18 19 21 20 20 22 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 394 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C400000000000000001C000001E00100000000D08C19E043C8092C81000A8033577540082802031022008D8A13864980820F2C09191842008609600C8C8071D88C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-benzyl-N'-[3-(2-pyridyl)propyl]butanediamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(phenylmethyl)-N'-[3-(2-pyridinyl)propyl]butanediamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-2-benzyl-<I>N</I>&apos;-(3-pyridin-2-ylpropyl)butanediamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-benzyl-N'-(3-pyridin-2-ylpropyl)butanediamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(phenylmethyl)-N'-(3-pyridin-2-ylpropyl)butanediamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-benzyl-N'-[3-(2-pyridyl)propyl]succinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H23N3O2/c20-19(24)16(13-15-7-2-1-3-8-15)14-18(23)22-12-6-10-17-9-4-5-11-21-17/h1-5,7-9,11,16H,6,10,12-14H2,(H2,20,24)(H,22,23)/t16-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YOXUTUPGDFEMCD-MRXNPFEDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.17902698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H23N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC(CC(=O)NCCCC2=CC=CC=N2)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C[C@H](CC(=O)NCCCC2=CC=CC=N2)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 85.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 325.17902698 24 1 1 0 0 0 0 0 1 -1