2928562 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 8 8 8 8 7 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 2 2 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 10 11 11 11 12 12 13 13 14 15 15 16 17 17 18 18 19 19 20 21 22 23 23 24 24 25 25 26 27 27 28 10 21 16 26 14 20 28 8 11 14 7 9 10 29 8 30 31 32 33 12 13 15 16 34 35 18 36 19 37 20 17 38 23 21 39 22 40 22 41 24 42 43 25 44 27 45 26 46 47 28 48 49 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 6 7 9 10 29 3 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 7.1513 4.3917 5.3147 2.6691 4.4487 6.1808 5.3147 5.3147 6.1808 7.0468 3.5827 7.0468 5.3147 4.4487 7.9603 3.5827 8.6294 7.0468 5.3147 3.5827 8.1294 6.1808 2.7737 3.4782 3.0827 4.0827 2.5 2 6.1808 4.7042 5.1027 5.9253 5.5268 3.3706 2.9721 7.5837 4.7778 8.0892 9.2461 7.5837 4.7778 8.3816 6.1808 2.184 3.9389 2.7182 4.4471 2.2478 1.3834 0.6433 -0.939 2.6488 2.242 1.1488 -0.8512 -0.3512 0.6488 -1.8512 -0.3512 0.6488 -2.3512 -2.3512 2.1488 -0.758 -0.3512 -0.0148 -3.3512 -3.3512 2.6488 0.8512 -3.8512 -0.939 3.6433 -1.8901 -1.8901 3.8512 2.9852 -0.2312 -0.2436 -0.9338 0.5411 1.2314 1.2314 0.5411 -2.0412 -2.0412 -1.3644 -0.0796 -3.6612 -3.6612 1.4176 -4.4712 -0.7474 4.0582 -2.3916 -2.3916 4.4176 2.9204 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 6 9 9 10 12 13 15 16 17 18 19 20 23 24 25 27 10 21 16 26 20 28 7 12 13 15 18 19 17 23 21 22 22 24 25 27 26 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 493 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A380000000000000000000000000000012244800030000000000000000001FC00001E00000000000D04E198063004830004408802A9529002820800242000088801CE0CC80E263284B53F873928E4C61198A987BCDFF28E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-furylmethyl)-N-[3-(2-furyl)-3-phenyl-propyl]furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-furanylmethyl)-N-[3-(2-furanyl)-3-phenylpropyl]-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(furan-2-ylmethyl)-<I>N</I>-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-phenyl-propyl]furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-furfuryl)-N-[3-(2-furyl)-3-phenyl-propyl]-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H21NO4/c25-23(22-11-6-16-28-22)24(17-19-9-4-14-26-19)13-12-20(21-10-5-15-27-21)18-7-2-1-3-8-18/h1-11,14-16,20H,12-13,17H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IBHYCAXRPIWWLS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 375.14705815 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H21NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 375.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(CCN(CC2=CC=CO2)C(=O)C3=CC=CO3)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(CCN(CC2=CC=CO2)C(=O)C3=CC=CO3)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 375.14705815 28 1 0 1 0 0 0 0 1 -1