60421339 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 43 44 45 46 47 48 49 50 8 8 7 7 6 6 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 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 9 9 10 10 10 11 11 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 20 21 21 22 23 23 23 24 24 24 8 24 12 5 9 10 6 12 28 6 7 25 26 27 8 11 14 29 30 31 32 33 34 16 35 13 15 19 17 36 18 20 17 37 38 21 23 22 39 40 41 42 22 43 44 45 46 47 48 49 50 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 5 3 6 7 25 3 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 43 44 45 46 47 48 49 50 7.1962 2.866 6.3301 4.5981 5.4641 4.5981 5.4641 6.3301 6.3301 7.1962 4.5981 3.732 3.732 6.3301 2.866 4.5981 5.4641 2.866 4.5981 2 3.732 4.5981 2 8.0622 5.4641 4.386 3.9875 5.135 5.7101 6.3301 6.9501 7.5062 7.7331 6.8862 4.0611 6.8671 4.0611 5.4641 5.135 2.31 1.4631 1.69 3.732 5.135 1.69 1.4631 2.31 8.3722 8.5991 7.7522 2 -0.5 0.5 -0.5 1 0.5 2 2.5 -0.5 1 2.5 -1 -2 3.5 -2.5 3.5 4 -3.5 -2.5 -2 -4 -3.5 -4 2.5 0.38 1.0826 0.3923 -0.81 -0.5 -1.12 -0.5 0.4631 1.31 1.5369 2.19 3.81 3.81 4.62 -2.19 -1.4631 -1.69 -2.5369 -4.62 -3.81 -3.4631 -4.31 -4.5369 1.9631 2.81 3.0369 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 11 13 13 14 15 16 18 19 21 6 8 11 14 16 15 19 17 18 17 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 399 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306000000000000000014000001E00100000000C2CC19806320683C004008802215210008208002420000888810E0CC80C663284B51B94312866D61188A987B8C8E08E80000200001800000000040000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2,3-dimethyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H26N2O2/c1-14-9-8-11-16(15(14)2)20(23)21-13-18(22(3)4)17-10-6-7-12-19(17)24-5/h6-12,18H,13H2,1-5H3,(H,21,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KWGYFDYRELTASD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.199428076 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H26N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)C(=O)NCC(C2=CC=CC=C2OC)N(C)C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C(=CC=C1)C(=O)NCC(C2=CC=CC=C2OC)N(C)C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 326.199428076 24 1 0 1 0 0 0 0 1 -1