52326282 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 55 56 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 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 9 9 9 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 18 18 18 19 20 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 28 10 19 27 5 7 30 10 11 13 6 9 29 8 12 10 31 32 15 18 33 34 35 16 36 37 14 38 19 39 40 17 20 17 41 21 22 42 43 44 45 23 46 47 48 24 49 25 50 26 51 28 52 28 53 27 54 55 56 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 5 3 6 9 29 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 51 52 53 54 55 56 6.3301 5.5211 4.5981 5.4641 3.732 3.732 4.5981 2.866 2.866 5.4641 4.5981 4.5981 6.3301 4.5981 2.866 3.732 3.732 2 6.3301 5.4641 2.866 3.732 7.1391 2 2.866 6.8301 5.8301 2 3.732 5.135 4.386 3.9875 3.176 2.3291 2.556 4.9966 4.1996 5.135 6.5422 6.9407 2.3291 3.732 2.31 1.4631 1.69 5.1541 6.001 5.7741 2.866 4.269 7.7288 1.4631 2.866 7.1946 5.4657 1.4631 -0.0194 3.5684 -1.0194 1.4806 -1.5194 -2.5194 -0.0194 -3.0194 -1.0194 0.4806 1.9806 -3.0194 1.9806 -4.0194 -4.0194 1.4806 -4.5194 -2.5194 2.9806 -4.5194 1.9806 0.4806 3.5684 1.4806 -0.0194 4.5194 4.5194 0.4806 -0.8994 -1.3294 0.5632 -0.1271 -0.4825 -0.7094 -1.5564 2.4555 2.4555 -2.7094 1.398 2.0882 -4.3294 -5.1394 -1.9825 -2.2094 -3.0564 -5.0564 -4.8294 -3.9825 2.6006 0.1706 3.3768 1.7906 -0.6394 5.021 5.021 0.1706 8 8 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 6 6 8 12 14 15 16 16 19 21 22 23 24 25 26 19 27 3 8 12 15 14 17 17 21 22 23 24 25 26 28 28 27 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 477 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000012000000030600000000000000001D000001E00100000000C2CE19806320483C004408802A95290008208002420000888818E0CC80E663284B53B973928E4D61198A9879891C20EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(2-furylmethyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(2-furanylmethyl)-N-(phenylmethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-benzyl-2-[[(1<I>R</I>)-1-(2,5-dimethylphenyl)ethyl]amino]-<I>N</I>-(furan-2-ylmethyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(furan-2-ylmethyl)-N-(phenylmethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(2-furfuryl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H28N2O2/c1-18-11-12-19(2)23(14-18)20(3)25-15-24(27)26(17-22-10-7-13-28-22)16-21-8-5-4-6-9-21/h4-14,20,25H,15-17H2,1-3H3/t20-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FCLKQQJYSMBKRV-HXUWFJFHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.215078140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H28N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)C)C(C)NCC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)C)[C@@H](C)NCC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.215078140 28 1 1 0 0 0 0 0 1 -1