55931970 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 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 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 21 23 24 24 25 25 25 26 7 12 19 23 26 22 15 19 42 20 22 45 8 9 27 10 28 29 11 30 31 11 32 33 34 35 13 14 15 16 17 36 37 38 18 39 18 40 41 20 43 44 22 23 24 25 26 46 47 48 49 50 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 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 42 43 44 45 46 47 48 49 50 10.5109 7.0468 2 4.4487 7.9128 5.3147 11.3769 12.2905 11.4814 12.9596 12.4596 10.5109 9.6448 11.3769 8.7788 9.6448 11.3769 10.5109 7.0468 6.1808 3.5827 4.4487 2.6691 3.4782 2.4612 2.5 10.8569 11.9804 12.792 11.4166 10.8614 13.3744 13.4612 13.026 12.268 11.9138 9.1774 8.3803 9.1079 11.9138 10.5109 7.9128 5.7822 6.5793 5.3147 3.9389 1.8548 2.3323 3.0677 2.2478 0.6488 0.6488 -0.0148 -1.8512 -0.8512 -0.3512 1.1488 0.742 2.1433 1.4852 2.3512 -0.3512 -0.8512 -0.8512 -0.3512 -1.8512 -1.8512 -2.3512 -0.3512 -0.8512 -0.3512 -0.8512 -0.758 0.6433 -1.7361 0.8512 1.4865 0.2051 0.3776 2.7599 2.1433 1.0244 1.8496 2.6034 2.9409 -0.5412 0.1237 0.1237 -2.1612 -2.1612 -2.9712 -1.4712 -1.3262 -1.3262 0.2688 1.0582 -1.6072 -2.3426 -1.865 1.4176 8 8 8 8 8 8 8 8 8 8 8 3 3 12 12 13 14 16 17 21 21 24 23 26 13 14 16 17 18 18 23 24 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 478 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 2 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 00000371E07B38000000000000000000000000000001A200000030000000000000000001C000001E00100000000C14E19806320682C004408802A95290008208002420000888818E0CC80C663E8CB53B963968E6F61188A987BFC0200E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[[2-(cyclopentoxy)phenyl]methylamino]-2-oxo-ethyl]-2-methyl-furan-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methyl-3-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[(2-cyclopentyloxyphenyl)methylamino]-2-oxidanylidene-ethyl]-2-methyl-furan-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-[[2-(cyclopentoxy)benzyl]amino]-2-keto-ethyl]-2-methyl-3-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H24N2O4/c1-14-17(10-11-25-14)20(24)22-13-19(23)21-12-15-6-2-5-9-18(15)26-16-7-3-4-8-16/h2,5-6,9-11,16H,3-4,7-8,12-13H2,1H3,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WBPQHHRZELZBHN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.17360725 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H24N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CO1)C(=O)NCC(=O)NCC2=CC=CC=C2OC3CCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CO1)C(=O)NCC(=O)NCC2=CC=CC=C2OC3CCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 356.17360725 26 0 0 0 0 0 0 0 1 -1