56296388 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 7 7 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 17 18 19 20 20 20 21 23 23 24 24 24 25 25 26 26 27 22 5 11 39 17 21 46 16 22 47 6 7 28 8 29 30 9 31 32 10 33 34 10 35 36 37 38 12 13 18 40 19 41 15 17 20 21 23 18 19 24 44 45 22 42 43 25 26 48 49 50 51 27 52 27 53 54 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 2 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 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 45 46 47 48 49 50 51 52 53 54 6.6353 10.1921 4.6783 6.2781 10.5028 11.4813 9.8349 11.792 10.1456 11.1241 9.2136 8.5458 8.903 4.6783 3.732 7.2566 5.2619 7.5673 7.9244 4.9889 3.732 5.9674 2.866 6.2619 2.866 2 2 10.9169 11.5019 12.0951 9.288 9.4524 12.3389 12.1745 10.125 9.5318 11.6505 10.8929 10.6062 8.7384 9.317 4.9684 4.3751 7.1532 7.7318 4.8709 5.864 2.866 6.2619 6.8819 6.2619 2.866 1.4631 1.4631 -1.38 1.1397 -3.4019 0.3148 2.0902 2.2964 2.8345 3.2469 3.785 3.9912 0.9335 1.6778 -0.0171 -1.7924 -2.0972 0.521 -2.5972 1.4715 -0.2233 -0.8419 -3.0972 -0.6357 -1.5972 -2.5972 -3.5972 -2.0972 -3.0972 1.6287 1.6768 2.2091 3.1265 2.3466 2.9549 3.7348 4.4047 3.8724 4.3189 4.5665 0.6782 2.2671 -0.4785 -0.2223 -0.7546 1.933 -0.8126 -3.9912 0.7763 -0.9772 -3.2172 -2.5972 -1.9772 -4.2172 -1.7872 -3.4072 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 11 11 12 13 14 14 15 15 16 16 21 23 25 26 17 21 12 13 18 19 15 17 21 23 18 19 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 482 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371E07B20000000000000000000000000000001600000003060C000000000005801F400001E00100000000C28C19E0432C0F2C99000A803257254008280202102200899A13864980820F2C09591842008609400C8C8071C89C09E80008000000200000001000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1<I>H</I>-indol-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(cyclohexylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H27N3O/c1-16-21(20-9-5-6-10-22(20)24-16)15-23(27)26-19-13-11-18(12-14-19)25-17-7-3-2-4-8-17/h5-6,9-14,17,24-25H,2-4,7-8,15H2,1H3,(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TZCQDSMMEIPTTL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.215412493 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H27N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)NC4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 56.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.215412493 27 0 0 0 0 0 0 0 1 -1