60306468 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 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 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 5 5 6 6 6 6 7 7 7 8 8 8 9 10 10 10 12 12 13 13 14 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 22 23 23 24 25 25 26 26 27 11 5 7 14 9 11 36 16 26 9 13 8 10 28 29 12 30 31 11 32 33 15 16 34 35 19 20 17 37 38 39 40 18 41 21 18 42 43 22 44 23 45 25 46 24 47 24 48 49 27 50 27 51 52 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 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 8.9282 5.4641 7.1962 9.7942 6.3301 8.9282 4.5981 8.0622 7.1962 8.9282 8.0622 3.732 6.3301 5.4641 8.0622 9.7942 7.1962 8.0622 3.732 2.866 10.6603 2.866 2 2 11.5263 10.6603 11.5263 9.1403 9.5388 4.1996 4.9966 7.8501 7.4516 8.7162 8.3176 6.6592 5.7932 6.0841 5.4641 4.8441 8.5991 7.1962 8.5991 4.269 2.866 10.6603 2.866 1.4631 1.4631 12.0632 10.6603 12.0632 -1 -2 -1 3.5 -2.5 1 -2.5 0.5 -2 2 -0.5 -2 -3.5 -1 -2.5 2.5 -4 -3.5 -1 -2.5 2 -0.5 -2 -1 2.5 4 3.5 0.4174 1.1077 -2.975 -2.975 1.0826 0.3923 2.5826 1.8923 -0.69 -3.81 -1 -0.38 -1 -2.19 -4.62 -3.81 -0.69 -3.12 1.38 0.12 -2.31 -0.69 2.19 4.62 3.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 9 12 12 13 15 16 17 19 20 21 22 23 25 26 16 26 9 13 15 19 20 17 18 21 18 22 23 25 24 24 27 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 435 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C608000000000000001D000001E00100000000C08C19E043EC093C81000A8033577540082802031022008D8213874980860F2C09191942008609400C8C8071889809E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[benzyl(methyl)amino]phenyl]-4-(2-pyridyl)butanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[methyl-(phenylmethyl)amino]phenyl]-4-(2-pyridinyl)butanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[benzyl(methyl)amino]phenyl]-4-pyridin-2-ylbutanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[benzyl(methyl)amino]phenyl]-4-pyridin-2-ylbutanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[methyl-(phenylmethyl)amino]phenyl]-4-pyridin-2-yl-butanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[benzyl(methyl)amino]phenyl]-4-(2-pyridyl)butyramide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H25N3O/c1-26(18-19-10-3-2-4-11-19)22-15-6-5-14-21(22)25-23(27)16-9-13-20-12-7-8-17-24-20/h2-8,10-12,14-15,17H,9,13,16,18H2,1H3,(H,25,27) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZNEYHYILQUTODE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.199762429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H25N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1)C2=CC=CC=C2NC(=O)CCCC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1)C2=CC=CC=C2NC(=O)CCCC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 45.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.199762429 27 0 0 0 0 0 0 0 1 -1