25237216 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 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 1 1 1 2 2 3 3 4 4 4 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 12 12 13 13 14 15 15 16 16 17 18 19 19 19 20 20 20 21 21 21 22 22 22 11 14 19 17 20 5 11 32 12 7 8 11 23 9 24 25 10 26 27 10 28 29 30 31 13 33 14 15 16 18 34 17 35 18 36 21 37 38 22 39 40 41 42 43 44 45 46 2 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 1 5 -1 4 12 13 33 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 8.0622 3.732 5.4641 6.3301 6.3301 7.1962 8.0052 6.3871 7.6962 6.6962 7.1962 5.4641 5.4641 4.5981 6.3301 4.5981 5.4641 6.3301 2.866 6.3301 2 6.3301 6.6437 8.3152 8.5716 5.8207 6.0771 8.3026 7.6313 6.761 6.0897 5.7932 4.9272 6.8671 4.0611 6.8671 2.4675 3.2646 6.9407 6.5422 2.31 1.4631 1.69 5.7101 6.3301 6.9501 1.9806 -0.5194 -3.5194 1.9806 0.9806 3.4806 4.0684 4.0684 5.0194 5.0194 2.4806 0.4806 -0.5194 -1.0194 -1.0194 -2.0194 -2.5194 -2.0194 -1.0194 -4.0194 -0.5194 -5.0194 3.1991 3.5314 4.3205 4.3205 3.5314 5.1483 5.636 5.636 5.1483 2.2906 0.7906 -0.7094 -2.3294 -2.3294 -1.4944 -1.4944 -4.1271 -3.4368 0.0175 -0.2094 -1.0564 -5.0194 -5.6394 -5.0194 8 8 8 8 8 8 13 13 14 15 16 17 14 15 16 18 17 18 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 367 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3000000000000000000000000000000180000000300000000000000000010000001E00180000000D04E19806320680620400A802317310001208002020001A88012608980C27B284B11A823820A5D81508A80798E82C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2,4-diethoxyphenyl)methyleneamino]cyclopentanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(<I>E</I>)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-(2,4-diethoxybenzylidene)amino]cyclopentanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H24N2O3/c1-3-21-15-10-9-14(16(11-15)22-4-2)12-18-19-17(20)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20)/b18-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VKXUFOYEDJMJQV-LDADJPATSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.17869263 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H24N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC(=C(C=C1)C=NNC(=O)C2CCCC2)OCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCOC1=CC(=C(C=C1)/C=N/NC(=O)C2CCCC2)OCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 59.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 304.17869263 22 0 0 0 1 1 0 0 1 -1