60421491 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 7 7 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 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 12 13 13 14 14 15 16 17 17 18 18 18 19 19 20 21 21 22 22 23 9 18 16 20 23 6 11 12 7 16 34 7 8 24 25 26 9 10 13 14 27 28 29 30 31 32 33 15 35 15 36 37 17 19 38 39 40 41 20 42 21 22 43 23 44 45 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 6 4 7 8 24 3 1 17 16 38 19 42 20 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 2.866 7.1962 8.0052 3.732 5.4641 4.5981 5.4641 4.5981 3.732 5.4641 3.732 2.866 3.732 5.4641 4.5981 6.3301 6.3301 2 7.1962 7.1962 6.3871 6.6962 7.6962 4.5981 5.6762 6.0747 6.001 4.352 3.732 3.112 2.556 2.3291 3.176 4.9272 3.1951 6.001 4.5981 5.7932 1.69 1.4631 2.31 7.7331 5.7975 6.3317 8.0606 -2.5194 -0.0194 3.5684 -1.0194 -0.0194 -1.5194 -1.0194 -2.5194 -3.0194 -3.0194 -0.0194 -1.5194 -4.0194 -4.0194 -4.5194 0.4806 1.4806 -3.0194 1.9806 2.9806 3.5684 4.5194 4.5194 -0.8994 -1.602 -0.9118 -2.7094 -0.0194 0.6006 -0.0194 -0.9825 -1.8294 -2.0564 0.2906 -4.3294 -4.3294 -5.1394 1.7906 -2.4825 -3.3294 -3.5564 1.6706 3.3768 5.021 5.021 8 8 3 8 8 8 8 8 8 8 8 8 3 3 6 8 8 9 10 13 14 20 21 22 20 23 7 9 10 13 14 15 15 21 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 398 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 00000371E07B300000000000000000000000000000012000000030000000000000000001C000001E00100000000C2CE19806320683C004408802A95290008208002420000888810E0CC80C663284B51B963928E6D61188A987B8C0A00E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furanyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-<I>N</I>-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-furyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H22N2O3/c1-20(2)16(15-8-4-5-9-17(15)22-3)13-19-18(21)11-10-14-7-6-12-23-14/h4-12,16H,13H2,1-3H3,(H,19,21)/b11-10+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DTRSCVHRORUTEI-ZHACJKMWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.16304257 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H22N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(CNC(=O)C=CC1=CC=CO1)C2=CC=CC=C2OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN(C)C(CNC(=O)/C=C/C1=CC=CO1)C2=CC=CC=C2OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 54.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 314.16304257 23 1 0 1 1 1 0 0 1 -1