63230480 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 8 8 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 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 11 11 11 12 12 13 14 14 15 15 16 16 17 18 18 19 19 20 21 21 21 8 13 21 5 7 8 10 36 37 6 22 23 11 24 25 10 12 9 13 15 14 26 27 28 16 29 18 17 30 19 31 17 32 33 20 34 20 35 38 39 40 41 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 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 6.001 6.8671 4.269 2.5369 3.403 3.403 4.269 5.135 5.135 3.403 2.5369 5.135 6.001 3.403 4.269 5.135 4.269 6.001 4.269 5.135 7.7331 2.7924 3.1909 4.0135 3.615 2.8469 2 2.2269 5.672 2.866 3.732 5.672 4.269 6.538 3.732 2 2.5369 5.135 8.0431 8.27 7.4231 -0.25 1.25 -0.25 -1.25 0.25 1.25 -1.25 0.25 1.25 -1.75 1.75 -1.75 1.75 -2.75 1.75 -2.75 -3.25 2.75 2.75 3.25 1.75 0.3577 -0.3326 1.1423 1.8326 2.2869 2.06 1.2131 -1.44 -3.06 1.44 -3.06 -3.87 3.06 3.06 -1.56 -0.63 3.87 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 10 12 13 14 15 16 18 19 10 12 13 15 14 16 18 17 19 17 20 20 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 335 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0CC1980632C6834004008802255250008208002522000888010E7CC80C6636C4B59B94316866F611C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-N-propyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-N-propylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-aminophenyl)-2-methoxy-<I>N</I>-propylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-N-propylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-N-propyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-N-propyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H20N2O2/c1-3-12-19(15-10-6-5-9-14(15)18)17(20)13-8-4-7-11-16(13)21-2/h4-11H,3,12,18H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RRKNUMOKWPMWEF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.35 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN(C1=CC=CC=C1N)C(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN(C1=CC=CC=C1N)C(=O)C2=CC=CC=C2OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.152477885 21 0 0 0 0 0 0 0 1 -1