60565818 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 8 8 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 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 10 10 11 11 12 12 13 15 15 15 16 16 17 18 18 19 19 20 20 21 22 22 22 23 23 23 14 17 22 14 15 35 5 6 24 25 7 26 27 8 28 29 9 30 31 9 10 11 12 32 13 33 13 14 34 16 36 37 17 18 19 20 38 21 39 21 40 41 23 42 43 44 45 46 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 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 42 43 44 45 46 6.3301 4.5981 5.4641 10.7282 10.7282 9.8222 9.8222 8.9282 8.9282 8.0622 8.0622 7.1962 7.1962 6.3301 4.5981 3.732 3.732 2.866 2.866 2 2 4.5981 3.732 10.9373 11.3391 11.3391 10.9373 9.4176 10.2158 10.2158 9.4176 8.0622 8.0622 6.6592 5.4641 4.1996 4.9966 2.866 2.866 1.4631 1.4631 5.2087 4.8101 4.042 3.1951 3.422 -2.25 0.75 -0.75 -0.7708 0.2708 -1.2847 0.7847 -0.75 0.25 -1.25 0.75 -0.75 0.25 -1.25 -1.25 -0.75 0.25 -1.25 0.75 -0.75 0.25 1.75 2.25 -1.3545 -0.6647 0.1647 0.8545 -1.7544 -1.7637 1.2637 1.2544 -1.87 1.37 0.56 -0.13 -1.725 -1.725 -1.87 1.37 -1.06 0.56 1.6423 2.3326 2.7869 2.56 1.7131 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 10 11 12 16 16 17 18 19 20 9 10 11 12 13 13 17 18 19 20 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 384 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 00000371E07A30000000000000000000000000000000000000003060C0000000000000C14000001E00100000000C04E19806320682C004008802215210008208002420000888810E0CC80C263284B51B863928E6C61188A98798C8E08EC0000200001800008000040000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]tetralin-6-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2-ethoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-ethoxybenzyl)tetralin-6-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H23NO2/c1-2-23-19-10-6-5-9-18(19)14-21-20(22)17-12-11-15-7-3-4-8-16(15)13-17/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HPDBVFRAQVRFJW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.172878976 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H23NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(CCCC3)C=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(CCCC3)C=C2 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 2021.05.07 309.172878976 23 0 0 0 0 0 0 0 1 -1