9119796 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 8 8 8 8 7 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 2 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 11 11 11 13 13 13 14 14 15 16 16 17 17 18 18 19 20 20 21 22 22 23 24 24 24 15 23 10 12 19 24 8 9 11 10 13 34 12 14 35 10 25 26 12 27 28 29 30 31 15 32 33 16 17 18 19 36 20 37 22 38 21 21 39 40 23 41 42 43 44 45 1 1 2 2 1 1 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 2 1 1 1 2 1 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 8.0052 7.1962 5.4641 2 5.4641 6.3301 3.732 5.4641 4.5981 6.3301 6.3301 4.5981 7.1962 3.732 7.1962 2.866 4.5981 6.3871 2.866 4.5981 3.732 6.6962 7.6962 2 5.252 4.8535 4.386 3.9875 6.0201 6.8671 6.6401 7.4082 7.8067 5.7932 3.1951 2.3291 5.135 5.7975 5.135 3.732 6.3317 8.0606 1.38 2 2.62 4.8184 1.2306 -1.7694 -4.7694 0.2306 2.7306 -1.7694 1.2306 -0.2694 1.7306 -0.2694 -1.2694 3.2306 -2.7694 4.2306 -3.2694 -3.2694 4.8184 -4.2694 -4.2694 -4.7694 5.7694 5.7694 -5.7694 1.8132 1.1229 0.3132 -0.3771 -0.8064 -0.5794 0.2675 2.648 3.3382 3.0406 -1.4594 -2.9594 -2.9594 4.6268 -4.5794 -5.3894 6.271 6.271 -5.7694 -6.3894 -5.7694 8 8 8 8 8 8 8 8 8 8 8 1 1 14 14 15 16 17 18 19 20 22 15 23 16 17 18 19 20 22 21 21 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 419 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000000000012000000030000000000000000001C000001E0010000000080CE1900632C683C004408800AD52D0008208002522000888818E6CC80E6632C4B5BB973928E6D619D8E9879851030000000002000000000000000400000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furylmethyl)-2-[[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-amino]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furanylmethyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(furan-2-ylmethyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-2-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furfuryl)-2-[[2-keto-2-(m-anisidino)ethyl]-methyl-amino]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H21N3O4/c1-20(11-16(21)18-10-15-7-4-8-24-15)12-17(22)19-13-5-3-6-14(9-13)23-2/h3-9H,10-12H2,1-2H3,(H,18,21)(H,19,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BBRDADAXRFSTJR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.15320616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H21N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC(=O)NCC1=CC=CO1)CC(=O)NC2=CC(=CC=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(CC(=O)NCC1=CC=CO1)CC(=O)NC2=CC(=CC=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.15320616 24 0 0 0 0 0 0 0 1 -1