62101305 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 6 6 6 7 8 8 9 10 10 11 11 11 12 13 13 14 14 15 15 16 17 17 18 18 19 20 20 20 12 20 7 5 6 7 9 34 35 9 10 11 21 22 8 12 14 13 15 23 24 25 26 17 16 27 18 28 16 29 30 19 31 19 32 33 36 37 38 1 1 2 1 1 1 1 1 1 1 2 1 1 1 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 6.8671 6.001 4.269 2.5369 4.269 3.403 5.135 5.135 3.403 5.135 3.403 6.001 3.403 4.269 5.135 4.269 6.001 4.269 5.135 7.7331 2.7924 3.1909 5.672 4.023 3.403 2.783 2.866 3.732 5.672 4.269 6.538 3.732 5.135 2 2.5369 8.0431 8.27 7.4231 1.25 -0.25 -0.25 -1.25 -1.25 0.25 0.25 1.25 -1.75 -1.75 1.25 1.75 -2.75 1.75 -2.75 -3.25 2.75 2.75 3.25 1.75 0.3577 -0.3326 -1.44 1.25 1.87 1.25 -3.06 1.44 -3.06 -3.87 3.06 3.06 3.87 -1.56 -0.63 1.2131 2.06 2.2869 8 8 8 8 8 8 8 8 8 8 8 8 5 5 8 8 9 10 12 13 14 15 17 18 9 10 12 14 13 15 17 16 18 16 19 19 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 322 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 4 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)-N-ethyl-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-N-ethyl-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-aminophenyl)-<I>N</I>-ethyl-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-N-ethyl-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-N-ethyl-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-N-ethyl-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H18N2O2/c1-3-18(14-10-6-5-9-13(14)17)16(19)12-8-4-7-11-15(12)20-2/h4-11H,3,17H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OAFREEHVPCZPQH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.136827821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H18N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 270.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(C1=CC=CC=C1N)C(=O)C2=CC=CC=C2OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(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 2021.05.07 270.136827821 20 0 0 0 0 0 0 0 1 -1