35596394 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 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 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 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 13 14 14 15 16 17 17 18 18 19 19 20 20 21 21 22 22 22 23 23 24 25 25 26 12 16 26 15 6 12 38 13 15 39 7 8 27 9 28 29 10 30 31 11 32 33 11 34 35 36 37 13 14 16 40 17 20 18 19 21 22 23 41 25 42 24 43 44 45 46 24 47 48 26 49 50 2 1 1 2 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 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 13 5 12 14 40 16 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 5.4641 2.923 2.866 6.3301 4.5981 7.1962 8.0622 7.1962 8.9282 8.0622 8.9282 5.4641 4.5981 3.732 3.732 3.732 3.732 2.866 4.5981 4.5411 2.866 2 4.5981 3.732 4.232 3.232 6.6592 7.6636 8.4607 6.9841 6.5856 9.1403 9.5388 8.4607 7.6636 9.5388 9.1403 6.3301 5.135 3.1951 5.135 5.1307 2.3291 2.31 1.4631 1.69 5.135 3.732 4.5965 2.8676 2.2306 2.8184 -0.2694 0.7306 -0.2694 1.2306 0.7306 2.2306 1.2306 2.7306 2.2306 1.2306 0.7306 1.2306 -0.7694 2.2306 -1.7694 -2.2694 -2.2694 2.8184 -3.2694 -1.7694 -3.2694 -3.7694 3.7694 3.7694 1.5406 0.2556 0.2556 2.8132 2.1229 0.648 1.3382 3.2055 3.2055 2.1229 2.8132 0.1106 -0.5794 0.9206 -1.9594 2.6268 -3.5794 -1.2325 -1.4594 -2.3064 -3.5794 -4.3894 4.271 4.271 8 8 8 8 8 8 8 8 8 8 8 2 2 16 17 17 18 19 20 21 23 25 16 26 20 18 19 21 23 25 24 24 26 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 525 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000012000000030600000000000000001C000001E00100000000C2CE19806320482C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C79888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-3-(cyclohexylamino)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(<I>E</I>)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H24N2O3/c1-15-8-5-6-12-18(15)20(24)23-19(14-17-11-7-13-26-17)21(25)22-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,22,25)(H,23,24)/b19-14+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LPCVUPOASZIKQL-XMHGGMMESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.17869263 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H24N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C(=O)NC(=CC2=CC=CO2)C(=O)NC3CCCCC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3CCCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.17869263 26 0 0 0 1 1 0 0 1 -1