49724662 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 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 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 12 13 13 14 14 15 15 16 17 18 18 19 20 20 21 21 22 22 23 24 24 24 25 25 25 11 19 24 17 7 8 10 9 11 32 12 17 35 9 26 27 11 28 29 30 31 12 13 14 15 33 16 34 16 36 37 18 19 20 21 22 38 23 39 23 40 41 25 42 43 44 45 46 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 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 43 44 45 46 8.9282 4.5981 4.5981 7.1962 7.1962 5.4641 6.3301 8.0622 6.3301 7.1962 8.0622 6.3301 8.0622 6.3301 8.0622 7.1962 4.5981 3.732 3.732 2.866 2.866 2 2 4.5981 3.732 5.7196 6.1181 8.2742 8.6728 6.1181 5.7196 7.1962 8.5991 5.7932 5.4641 8.5991 7.1962 2.866 2.866 1.4631 1.4631 5.2087 4.8101 4.042 3.1951 3.422 2.19 0.69 -2.31 0.19 2.19 -0.81 0.69 0.69 1.69 -0.81 1.69 -1.31 -1.31 -2.31 -2.31 -2.81 -1.31 -0.81 0.19 -1.31 0.69 -0.81 0.19 1.69 2.19 0.7977 0.1074 0.1074 0.7977 2.2726 1.5823 2.81 -1 -2.62 -0.19 -2.62 -3.43 -1.93 1.31 -1.12 0.5 1.5823 2.2726 2.7269 2.5 1.6531 8 8 8 8 8 8 8 8 8 8 8 8 10 10 12 13 14 15 18 18 19 20 21 22 12 13 14 15 16 16 19 20 21 22 23 23 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 471 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000014000001E00100000000C0CE1980632C683C004008802255250008208002522000888818E7CC80C6636C4B5BB963968E6F611C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-oxopiperazin-1-yl)phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-oxo-1-piperazinyl)phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-<I>N</I>-[2-(3-oxopiperazin-1-yl)phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-oxopiperazin-1-yl)phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethoxy-N-[2-(3-ketopiperazino)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H21N3O3/c1-2-25-17-10-6-3-7-14(17)19(24)21-15-8-4-5-9-16(15)22-12-11-20-18(23)13-22/h3-10H,2,11-13H2,1H3,(H,20,23)(H,21,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AGQYGSJSAGBYGU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCNC(=O)C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCNC(=O)C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 339.15829154 25 0 0 0 0 0 0 0 1 -1