31075 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 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 2 2 2 3 3 3 4 4 4 4 5 5 5 6 6 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 19 20 20 21 21 21 22 7 7 8 14 12 21 36 5 6 7 9 10 23 24 8 11 13 25 26 27 12 28 29 15 30 31 32 16 33 17 18 16 34 35 19 37 20 38 22 39 22 40 41 42 43 44 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 4 5 6 7 9 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 6.2619 4.6783 6.0927 4.6783 5.4883 3.732 5.2619 3.732 4.3709 5.3855 2.866 6.1955 2.866 4.9889 2 2 4.3211 5.9674 4.6318 6.2781 6.9028 5.6103 5.7591 6.0846 4.9609 4.1803 3.7809 5.1147 4.7892 2.866 6.4664 6.7918 2.866 1.4631 1.4631 5.5268 3.7144 6.3815 4.2177 6.8848 7.2663 7.405 6.5392 5.8029 -0.4485 -1.2532 3.5184 0.3562 0.9426 0.0515 -0.4485 -0.9485 1.3078 1.9373 0.5515 2.5237 -1.4485 -2.2038 0.0515 -0.9485 -2.948 -2.41 -3.8986 -3.3605 4.1048 -4.1048 0.3849 1.1125 1.4984 1.8978 1.1172 2.495 1.7675 1.1715 1.966 2.6936 -2.0685 0.3615 -1.2585 3.7716 -2.8202 -1.9485 -4.36 -3.4883 3.6026 4.4684 4.607 -4.6941 3 8 8 8 8 8 8 8 8 8 8 8 8 4 6 6 8 11 13 14 14 15 17 18 19 20 9 8 11 13 15 16 17 18 16 19 20 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 391 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000000000000000000000000000000160000000306000000000000058014000001E00100000000E08C1980432C083C00000880225525000820000210200088881086488082072C09591842008609400C8C8071C89C08F80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenyl-indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenyl-2-indolone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenyl-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-methyl-3-[3-(methylamino)propyl]-1-phenyl-oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HBGWAZBZXJBYQD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.173213330 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H22N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCCNC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCCNC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 32.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 294.173213330 22 1 0 1 0 0 0 0 1 -1