61510710 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 1 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 7 8 9 9 10 10 11 11 11 12 12 12 14 14 15 16 17 17 18 19 19 20 21 21 21 16 21 13 8 13 27 18 37 38 6 7 22 23 8 9 11 24 25 10 14 26 15 28 29 30 31 13 16 17 15 32 33 19 18 34 20 20 35 36 39 40 41 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 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 2.866 3.732 5.4641 6.3301 7.1962 6.3301 8.0622 5.4641 6.3301 4.5981 8.9282 4.5981 4.5981 5.4641 4.5981 3.732 5.4641 5.4641 3.732 4.5981 2 6.7976 7.5947 8.4607 7.6636 6.8671 6.001 4.0611 8.6182 9.4651 9.2382 5.4641 4.0611 6.001 3.1951 4.5981 6.3301 6.8671 1.69 1.4631 2.31 -0.94 0.56 0.56 -2.94 1.56 2.06 2.06 1.56 3.06 2.06 1.56 -0.94 0.06 3.56 3.06 -1.44 -1.44 -2.44 -2.44 -2.94 -1.44 1.085 1.085 2.5349 2.5349 3.37 0.25 1.75 1.0231 1.25 2.0969 4.18 3.37 -1.13 -2.75 -3.56 -3.56 -2.63 -0.9031 -1.75 -1.9769 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 10 12 12 14 16 17 18 19 8 9 10 14 15 16 17 15 19 18 20 20 0 Compound Canonicalized 5 2019.01.04 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 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 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801066CC80C2636C4B59B84316866F411C8E987BCC8A08E00400040000A00000080008000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-2-methoxy-N-(2-propylphenyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-2-methoxy-N-(2-propylphenyl)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-2-methoxy-<I>N</I>-(2-propylphenyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-2-methoxy-N-(2-propylphenyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-azanyl-2-methoxy-N-(2-propylphenyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-amino-2-methoxy-N-(2-propylphenyl)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H20N2O2/c1-3-6-12-7-4-5-8-15(12)19-17(20)14-11-13(18)9-10-16(14)21-2/h4-5,7-11H,3,6,18H2,1-2H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OQNRRRAGNOROED-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 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 CCCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)OC 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 2021.05.07 284.152477885 21 0 0 0 0 0 0 0 1 -1