60592901 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 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 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 12 13 13 13 14 14 15 15 16 17 17 18 18 18 19 19 19 20 20 21 21 22 23 23 23 24 24 24 25 25 25 11 12 16 24 7 10 12 11 13 33 15 18 19 8 11 26 9 27 28 10 29 30 31 32 14 15 34 35 16 17 36 37 20 21 38 23 39 40 41 42 43 22 44 22 45 46 47 48 49 25 50 51 52 53 54 2 2 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 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 7 4 8 11 26 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 4.7404 4.5981 3.732 6.3301 5.8994 4.621 6.4347 7.4128 7.9128 7.2437 5.6915 5.4641 5.1563 5.4641 5.3642 4.5981 6.3301 4.829 3.67 4.5981 6.3301 5.4641 4.0858 2.866 2 5.8558 7.9792 7.2212 8.3277 8.4144 6.9337 7.7453 6.4891 4.5814 4.8277 5.939 5.6927 6.8671 5.4038 5.1575 3.4784 3.0803 3.8616 4.0611 6.8671 5.4641 4.5007 3.6251 3.671 2.4675 3.2646 2.31 1.4631 1.69 -0.1981 -1.5527 -3.0527 -1.5527 1.0891 3.4055 -0.5582 -0.3503 -1.2163 -1.9595 0.1109 -2.0527 1.7582 -3.0527 2.7363 -3.5527 -3.5527 4.3836 3.0964 -4.5527 -4.5527 -5.0527 5.0527 -3.5527 -3.0527 -0.7804 -0.0981 0.2393 -1.6771 -0.8519 -2.4964 -2.3239 1.2806 1.9904 1.2324 2.5041 3.2621 -3.2427 4.1514 4.9094 3.6861 2.9049 2.5068 -4.8627 -4.8627 -5.6727 5.5135 5.4676 4.592 -4.0277 -4.0277 -2.5158 -2.7427 -3.5897 3 8 8 8 8 8 8 7 14 14 16 17 20 21 11 16 17 20 21 22 22 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 444 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000160000000300000000000000000010000001E00100000000C2CE19806320683C004008802215210008208002420000888818E0CC80C663684B53B963968E6F61188A98798C9208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[(2-ethoxyphenyl)-oxomethyl]-N-[2-[ethyl(methyl)amino]ethyl]-2-pyrrolidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-ethoxybenzoyl)-<I>N</I>-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-ethoxyphenyl)carbonyl-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H29N3O3/c1-4-21(3)14-12-20-18(23)16-10-8-13-22(16)19(24)15-9-6-7-11-17(15)25-5-2/h6-7,9,11,16H,4-5,8,10,12-14H2,1-3H3,(H,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OJEKZEQYPISADY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.22089180 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H29N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C)CCNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(C)CCNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 61.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.22089180 25 1 0 1 0 0 0 0 1 -1