56773272 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 7 8 8 8 9 10 11 11 11 12 12 12 14 14 14 15 16 16 17 17 18 18 19 20 20 20 15 20 13 5 13 23 7 30 31 6 7 9 11 10 9 10 14 21 22 24 25 26 13 15 16 27 28 29 17 18 32 19 33 19 34 35 36 37 38 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 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 3.403 6.001 4.269 2.5369 4.269 5.135 3.403 4.269 5.135 3.403 6.001 5.135 5.135 4.269 4.269 6.001 4.269 6.001 5.135 2.5369 5.672 2.866 3.732 6.311 6.538 5.691 3.649 4.269 4.889 2 2.5369 6.538 3.732 6.538 5.135 2.8469 2 2.2269 1.75 0.25 0.25 -0.75 -0.75 -1.25 -1.25 -2.75 -2.25 -2.25 -0.75 1.75 0.75 -3.75 2.25 2.25 3.25 3.25 3.75 2.25 -2.56 -2.56 0.56 -1.2869 -0.44 -0.2131 -3.75 -4.37 -3.75 -1.06 -0.13 1.94 3.56 3.56 4.37 2.7869 2.56 1.7131 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 8 12 12 15 16 17 18 6 7 9 10 9 10 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 334 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E98798C8608E08000240000A00201000048000140040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,6-dimethyl-phenyl)-2-methoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-azanyl-4,6-dimethyl-phenyl)-2-methoxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-amino-4,6-dimethyl-phenyl)-2-methoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H18N2O2/c1-10-8-11(2)15(13(17)9-10)18-16(19)12-6-4-5-7-14(12)20-3/h4-9H,17H2,1-3H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VYWNLANINKDOHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 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 CC1=CC(=C(C(=C1)N)NC(=O)C2=CC=CC=C2OC)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C(=C1)N)NC(=O)C2=CC=CC=C2OC)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.4 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