60414695 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 8 8 8 7 7 7 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 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 14 14 15 15 15 17 18 18 19 19 20 20 21 22 22 22 23 23 23 13 17 22 16 7 8 9 10 13 38 14 16 41 10 24 25 11 26 27 12 28 29 30 31 32 33 34 35 36 37 14 39 40 16 17 18 19 20 42 21 43 21 44 45 23 46 47 48 49 50 2 1 1 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 1 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 47 48 49 50 8.0622 3.732 4.5981 8.9282 7.1962 6.3301 8.0622 8.9282 9.7942 8.0622 9.7942 10.6603 7.1962 6.3301 5.4641 5.4641 4.5981 6.3301 4.5981 6.3301 5.4641 2.866 2 7.8501 7.4516 8.7162 8.3176 9.3957 10.1928 8.2742 8.6728 10.1042 10.3312 9.4842 10.9703 11.1972 10.3503 6.6592 6.1181 5.7196 6.8671 6.8671 4.0611 6.8671 5.4641 2.4675 3.2646 2.31 1.4631 1.69 -0.25 -2.75 -1.25 3.25 1.25 -1.25 2.75 4.25 2.75 1.75 4.75 3.25 0.25 -0.25 -2.75 -1.75 -3.25 -3.25 -4.25 -4.25 -4.75 -3.25 -2.75 3.3326 2.6423 4.8326 4.1423 2.275 2.275 1.1674 1.8577 4.2131 5.06 5.2869 2.7131 3.56 3.7869 1.56 0.3326 -0.3577 -1.56 -2.94 -4.56 -4.56 -5.37 -3.725 -3.725 -2.2131 -2.44 -3.2869 8 8 8 8 8 8 15 15 17 18 19 20 17 18 19 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 359 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000300000000000000000010000001E00100000000C04E19806320683C004008802215210008208002420000888818E0CC80C663684B53B963968E6F61188A98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-(diethylamino)ethylamino]-2-oxo-ethyl]-2-ethoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-ethoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-ethoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-ethoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-(diethylamino)ethylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[2-(diethylamino)ethylamino]-2-keto-ethyl]-2-ethoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H27N3O3/c1-4-20(5-2)12-11-18-16(21)13-19-17(22)14-9-7-8-10-15(14)23-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,18,21)(H,19,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KPIXRILCYHRHDP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.20524173 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H27N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCNC(=O)CNC(=O)C1=CC=CC=C1OCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCNC(=O)CNC(=O)C1=CC=CC=C1OCC 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 2021.05.07 321.20524173 23 0 0 0 0 0 0 0 1 -1