5455620 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 51 52 53 54 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 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 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 13 13 14 15 15 17 19 19 19 20 20 21 21 21 22 22 23 23 24 24 25 26 27 27 28 28 29 29 29 30 17 29 26 30 16 18 10 18 36 15 16 37 8 12 19 13 21 12 14 16 11 31 32 17 20 33 14 34 35 18 22 23 38 39 40 24 41 42 43 44 26 45 25 46 25 47 48 27 28 49 30 50 51 52 53 54 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 15 6 18 22 45 26 2 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 51 52 53 54 3 9.7265729904175 5.6339745521545 5.6339745521545 6 7.3660254478455 5.6339745521545 6.5 6.5 5 4.5 5.6339745521545 7.3660254478455 7.3660254478455 7.3660254478455 6.5 3.5 6.5 4.7679491043091 5 6.5 8.2320508956909 3 4.5 3.5 8.7320508956909 8.3253145217896 9.0684585571289 2 9.9344844818115 5.1076617240906 4.4173903465271 5.0970387458801 7.9029612541199 7.9029612541199 6.3099999427795 7.9029612541199 4.4579491615295 4.2310132980347 5.0779490470886 5.6199998855591 5.8800001144409 6.5 7.1199998855591 8.7689867019653 2.3800001144409 4.8099999427795 3.1900000572205 7.7188630104065 9.0036506652832 2 1.3799999952316 2 10.50088214874 2.1339745521545 2.2385029792786 -0.232050806283951 0.767949163913727 2.1339745521545 -0.232050806283951 -3.2320508956909 -3.7320508956909 -1.7320507764816 2.1339745521545 3 -2.2320508956909 -3.2320508956909 -2.2320508956909 0.767949163913727 -0.732050836086273 3 1.2679492235184 -3.7320508956909 3.8660254478455 -4.7320508956909 1.2679492235184 3.8660254478455 4.7320508956909 4.7320508956909 2.1339745521545 3.0475201606751 3.716650724411 2.1339745521545 3.216650724411 1.5233937501907 1.9219220876694 -1.9220509529114 -3.5420508384705 -1.9220509529114 2.670910358429 -0.542050778865814 -3.1951150894165 -4.0420508384705 -4.2689867019653 3.8660254478455 -4.7320508956909 -5.35205078125 -4.7320508956909 0.957949221134186 3.8660254478455 5.2689867019653 5.2689867019653 3.1764254570007 4.3332543373108 2.7539744377136 2.1339745521545 1.5139745473862 3.4688274860382 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 8 9 9 11 11 13 17 20 23 24 26 27 28 26 30 8 12 13 12 14 17 20 14 23 24 25 25 27 28 30 0 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.356 Cactvs xemistry.com 2010.05.05 620 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.356 Cactvs xemistry.com 2010.05.05 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.356 Cactvs xemistry.com 2010.05.05 2 Count Rotatable Bond 5 E_NROTBONDS 3.356 Cactvs xemistry.com 2010.05.05 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.356 Cactvs xemistry.com 2010.05.05 00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E6C61188A9C798C8E08EC0000200001800008000040000300000000000000000 IUPAC Name Allowed 1 2.0.0 LexiChem openeye.com 2010.05.05 N-[(E)-2-(2-furyl)-1-[(2-methoxyphenyl)methylcarbamoyl]vinyl]-3,4-dimethyl-benzamide IUPAC Name CAS-like Style 1 2.0.0 LexiChem openeye.com 2010.05.05 N-[(E)-1-(2-furanyl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide IUPAC Name Preferred 1 2.0.0 LexiChem openeye.com 2010.05.05 N-[(E)-1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide IUPAC Name Systematic 1 2.0.0 LexiChem openeye.com 2010.05.05 N-[(E)-1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide IUPAC Name Traditional 1 2.0.0 LexiChem openeye.com 2010.05.05 N-[(E)-2-(2-furyl)-1-(o-anisylcarbamoyl)vinyl]-3,4-dimethyl-benzamide InChI Standard 1 1.0.3 InChI nist.gov 2010.05.05 InChI=1S/C24H24N2O4/c1-16-10-11-18(13-17(16)2)23(27)26-21(14-20-8-6-12-30-20)24(28)25-15-19-7-4-5-9-22(19)29-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)/b21-14+ InChIKey Standard 1 1.0.3 InChI nist.gov 2010.05.05 JBIWNZDZVDTKLQ-KGENOOAVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2010.05.05 4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2010.05.05 404.173607 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2010.05.05 C24H24N2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2010.05.05 404.45836 SMILES Canonical 1 1.7.2 OEChem openeye.com 2010.05.05 CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCC3=CC=CC=C3OC)C SMILES Isomeric 1 1.7.2 OEChem openeye.com 2010.05.05 CC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCC3=CC=CC=C3OC)C Topological Polar Surface Area 7 E_TPSA 3.356 Cactvs xemistry.com 2010.05.05 80.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2010.05.05 404.173607 30 0 0 0 1 1 0 0 1 4