56700244 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 8 8 7 6 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 2 3 3 3 4 4 4 5 6 6 6 7 7 7 8 8 8 9 11 11 12 12 13 13 13 14 14 15 15 15 16 16 16 17 17 18 18 19 20 20 21 7 9 10 5 10 25 5 6 11 12 13 22 23 15 16 24 9 10 14 17 18 26 19 27 34 35 36 20 37 28 29 30 31 32 33 21 38 19 39 40 21 41 42 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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 3.732 4.5981 6.3301 7.1962 6.3301 8.0622 2.866 5.4641 4.5981 5.4641 7.1962 5.4641 8.9282 6.3301 2 2.866 4.5981 6.3301 5.4641 6.3301 5.4641 7.6636 8.4607 2.866 6.8671 7.7331 4.9272 2.31 1.4631 1.69 2.246 2.866 3.486 9.2382 9.4651 8.6182 6.8671 4.0611 6.3301 4.9272 6.8671 5.4641 -1.25 0.25 0.25 1.75 1.25 1.25 -1.75 -1.25 -1.75 -0.25 2.75 1.75 1.75 -1.75 -1.25 -2.75 -2.75 3.25 2.75 -2.75 -3.25 0.7751 0.7751 -1.13 -0.06 3.06 1.44 -0.7131 -0.94 -1.7869 -2.75 -3.37 -2.75 1.2131 2.06 2.2869 -1.44 -3.06 3.87 3.06 -3.06 -3.87 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 8 8 9 11 12 14 17 18 20 5 11 12 9 14 17 18 19 20 21 19 21 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 329 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100000000C1CA1980232C682C00400880225525000820800252200088801066CC80C2636C4B59B863968E6F411C8E98798C8A08E00000000000A00000000000000140000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethylphenyl)-2-isopropoxy-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethylphenyl)-2-propan-2-yloxybenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-ethylphenyl)-2-propan-2-yloxybenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethylphenyl)-2-propan-2-yloxybenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethylphenyl)-2-propan-2-yloxy-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethylphenyl)-2-isopropoxy-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H21NO2/c1-4-14-9-5-7-11-16(14)19-18(20)15-10-6-8-12-17(15)21-13(2)3/h5-13H,4H2,1-3H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YHAXSJYCISHGJW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.157228913 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H21NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC(C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2OC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.157228913 21 0 0 0 0 0 0 0 1 -1