68448948 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 10 11 13 13 14 15 15 16 17 17 18 18 19 19 19 20 20 21 22 22 23 23 24 16 24 12 6 12 28 17 42 43 6 7 15 25 26 16 18 9 13 17 11 19 11 12 14 27 14 29 30 20 31 22 32 33 21 34 35 36 37 21 38 39 23 40 24 41 44 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 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 3.6845 2.866 4.5981 4.5981 5.4641 4.5981 5.4641 3.732 2.866 3.732 2.866 3.732 4.5981 4.5981 6.3301 4.5981 3.732 6.3301 2 7.1962 7.1962 4.4936 3.5154 3.0154 4.386 3.9875 2.3291 5.135 5.135 5.135 6.3301 3.1215 3.52 6.3301 1.69 1.4631 2.31 7.7331 7.7331 4.9543 3.2632 4.5981 5.135 2.3988 3.302 0.7088 0.7088 -4.2912 2.2088 1.7088 3.2088 -2.7912 -2.2912 -0.7912 -1.2912 0.2088 -2.2912 -1.2912 1.7088 3.7088 -3.7912 3.7088 -2.7912 2.2088 3.2088 4.7033 4.9112 4.0452 2.2914 1.6011 -0.9812 0.3988 -2.6012 -0.9812 1.0888 -3.6836 -4.3738 4.3288 -2.2543 -3.1012 -3.3282 1.8988 3.5188 5.1182 5.4776 -4.9112 -3.9812 3.9804 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 7 8 8 9 10 10 13 15 16 18 20 22 23 16 24 7 15 18 9 13 11 11 14 14 20 22 21 21 23 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 414 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000012000000030600000000000000001D000001E00100000000C04E19806320482C004408802A95290008208002420000888810E0CC80C263284B51B863928E4C61188A987BCC8F08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-N-[[2-(2-furyl)phenyl]methyl]-3-methyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-N-[[2-(2-furanyl)phenyl]methyl]-3-methylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-<I>N</I>-[[2-(furan-2-yl)phenyl]methyl]-3-methylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-N-[[2-(furan-2-yl)phenyl]methyl]-3-methylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-N-[[2-(furan-2-yl)phenyl]methyl]-3-methyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(aminomethyl)-N-[2-(2-furyl)benzyl]-3-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H20N2O2/c1-14-11-15(8-9-16(14)12-21)20(23)22-13-17-5-2-3-6-18(17)19-7-4-10-24-19/h2-11H,12-13,21H2,1H3,(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UNZLGYYDFSQLGM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2C3=CC=CO3)CN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2C3=CC=CO3)CN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 68.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.152477885 24 0 0 0 0 0 0 0 1 -1