16288533 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 8 8 7 7 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 1 2 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 18 18 18 19 19 19 20 20 21 21 22 22 23 23 25 25 25 17 24 25 10 18 19 12 17 38 6 7 26 27 8 28 29 9 30 31 9 11 13 12 15 32 14 33 34 35 16 36 16 17 20 21 37 39 40 41 42 43 44 22 45 23 46 24 47 24 48 49 50 51 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 10 3 12 15 32 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 8.9282 2.866 6.3301 8.0622 13.0561 12.4725 12.4725 11.5263 11.5263 6.3301 10.6603 7.1962 10.6603 9.7942 5.4641 9.7942 8.9282 5.4641 7.1962 4.5981 5.4641 3.732 4.5981 3.732 2 13.517 13.517 13.0099 12.2215 12.2215 13.0099 6.8671 10.6603 7.5947 6.7976 10.6603 9.2573 8.0622 5.1541 4.9272 5.7741 6.8862 7.7331 7.5062 4.5981 6.001 3.1951 4.5981 1.69 1.4631 2.31 1.25 1.75 -1.25 -0.25 -0.75 0.0547 -1.5547 -0.25 -1.25 -0.25 0.25 0.25 -1.75 -0.25 0.25 -1.25 0.25 -1.75 -1.75 -0.25 1.25 0.25 1.75 1.25 1.25 -1.1647 -0.3353 0.364 0.6216 -2.1216 -1.864 -0.56 0.87 0.7249 0.7249 -2.37 -1.56 -0.87 -1.2131 -2.06 -2.2869 -2.2869 -2.06 -1.2131 -0.87 1.56 -0.06 2.37 1.7869 0.94 0.7131 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 9 10 11 13 14 15 15 20 21 22 23 9 11 13 12 14 16 16 20 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 432 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000180000000306000000000000060014000001E00100000000C2CC19806320683C004008802215210008208002420000888810E0CC80C663284B51B94312864D61188A98798D8C38EE000020000100000C000040000200000000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]indane-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1<I>H</I>-indene-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]indane-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H26N2O2/c1-23(2)20(16-9-11-19(25-3)12-10-16)14-22-21(24)18-8-7-15-5-4-6-17(15)13-18/h7-13,20H,4-6,14H2,1-3H3,(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VJJBQYIRWRXQLB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.199428076 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H26N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(CNC(=O)C1=CC2=C(CCC2)C=C1)C3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(CNC(=O)C1=CC2=C(CCC2)C=C1)C3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 338.199428076 25 1 0 1 0 0 0 0 1 -1