4910 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 55 56 57 8 8 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 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 8 10 10 11 11 12 12 13 13 14 14 14 15 15 15 16 16 17 17 18 18 19 19 20 20 21 21 21 22 22 22 23 24 25 25 25 26 26 26 9 15 9 16 21 22 5 6 7 9 8 27 28 10 12 11 13 14 29 30 17 31 18 32 19 33 20 34 35 36 37 16 38 39 40 41 23 42 24 43 23 44 24 45 25 46 47 26 48 49 50 51 52 53 54 55 56 57 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 53 54 55 56 57 6 6 8.5 4.5 3.5 4.5 4.5 3 5.5 3.634 3.634 5.366 5.366 2 7 7.5 3.634 3.634 5.366 5.366 9 9 4.5 4.5 10 10 2.9174 3.6077 3.5826 2.8923 3.097 3.097 5.903 5.903 2 1.38 2 7.5826 6.8923 6.9174 7.6077 3.097 3.097 5.903 5.903 8.4174 9.1077 9.1077 8.4174 4.5 4.5 10 10.62 10 10 10.62 10 -0.866 0.866 -1.732 0 0 -1 1 0.866 0 -1.5 1.5 -1.5 1.5 0.866 -0.866 -1.732 -2.5 2.5 -2.5 2.5 -2.5981 -0.866 -3 3 -2.5981 -0.866 -0.2121 -0.6106 1.0781 1.4766 -1.19 1.19 -1.19 1.19 1.486 0.866 0.246 -0.654 -0.2554 -1.9441 -2.3426 -2.81 2.81 -2.81 2.81 -2.8101 -3.2087 -0.2554 -0.654 -3.62 3.62 -3.2181 -2.5981 -1.9781 -1.486 -0.866 -0.246 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 10 11 12 13 17 18 19 20 10 12 11 13 17 18 19 20 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 375 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00000000000E00E19806320883000400880220D208000200002000000888010800880A203280151083200024C00198880788C8E08F80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2,2-diphenylpentanoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-diphenylpentanoic acid 2-(diethylamino)ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2,2-diphenylpentanoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2,2-diphenylpentanoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2,2-diphenylpentanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,2-diphenylvaleric acid 2-(diethylamino)ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SNTQPLDRUZOSDP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.235479232 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H31NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.235479232 26 0 0 0 0 0 0 0 1 -1