122162 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 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 2 2 2 3 3 3 4 4 4 5 6 6 7 7 7 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 21 22 22 22 20 5 8 27 10 20 34 5 6 7 9 8 11 10 23 24 13 12 25 26 28 29 14 30 16 17 15 31 15 32 33 18 35 19 36 21 37 21 38 22 39 40 41 42 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 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 2.9854 4.6783 4.6318 4.6783 5.2619 3.732 4.9889 3.732 6.2619 4.3211 2.866 6.7619 2.866 2 2 7.7619 6.2619 8.2619 6.7619 3.9639 7.7619 4.2746 5.5359 5.3715 6.8445 6.1542 4.8709 3.7742 3.9385 2.866 2.866 1.4631 1.4631 5.2384 8.0719 5.6419 8.8819 6.4519 8.0719 4.8639 4.4672 3.6852 2.7148 -2.0781 2.1767 -0.4687 -1.2734 -0.7734 0.4818 -1.7734 -1.2734 1.2261 -0.2734 -2.1394 -2.2734 -0.7734 -1.7734 -2.1394 -3.0055 -3.0055 -3.8715 2.921 -3.8715 3.8715 0.1898 0.9697 -1.0614 -0.6628 -2.6675 1.5182 0.7382 0.3466 -2.8934 -0.4634 -2.0834 2.3045 -1.6025 -3.0055 -3.0055 -4.4084 -4.4084 3.6789 4.4608 4.0641 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 4 6 6 8 11 12 12 13 14 16 17 18 19 5 8 5 6 8 11 13 14 16 17 15 15 18 19 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 364 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E07B200000000000000000000000000000016000000030600000000000005801F400001E00100000000C08C19E0432C0F2C99000A803257254008280202102200899A03864980820E2C09191842008609600C8C8071080C00E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(2-benzyl-1<I>H</I>-indol-3-yl)ethyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WVVXBPKOIZGVNS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.157563266 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 44.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.157563266 22 0 0 0 0 0 0 0 1 -1