60386165 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 57 58 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 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 2 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 12 12 13 13 14 14 15 15 16 16 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 27 28 29 29 29 30 30 30 31 31 31 10 24 29 25 30 26 31 6 7 10 8 32 33 9 34 35 11 13 12 14 15 18 36 19 37 20 38 21 39 17 40 17 22 23 41 27 42 28 43 27 44 28 45 25 46 24 47 26 26 48 49 50 51 52 53 54 55 56 57 58 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 15 10 40 17 41 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 51 52 53 54 55 56 57 58 4.5981 2.866 6.3301 4.5981 6.3301 7.1962 6.3301 8.0622 5.4641 5.4641 8.9282 5.4641 8.0622 4.5981 5.4641 4.5981 4.5981 9.7942 4.5981 8.9282 3.732 5.4641 3.732 3.732 5.4641 4.5981 9.7942 3.732 2 7.1962 3.732 6.7976 7.5947 6.9407 6.5422 8.9282 6.001 7.5252 4.5981 6.001 4.0611 10.3312 4.5981 8.9282 3.1951 6.001 3.1951 10.3312 3.1951 2.31 1.4631 1.69 7.5062 7.7331 6.8862 3.422 3.1951 4.042 1.75 -3.25 -3.25 -4.25 1.75 1.25 2.75 1.75 3.25 1.25 1.25 4.25 2.75 2.75 0.25 -1.25 -0.25 1.75 4.75 3.25 3.25 -1.75 -1.75 -2.75 -2.75 -3.25 2.75 4.25 -2.75 -2.75 -4.75 0.7751 0.7751 2.6423 3.3326 0.63 4.56 3.06 2.13 -0.06 0.06 1.44 5.37 3.87 2.94 -1.44 -1.44 3.06 4.56 -2.2131 -2.44 -3.2869 -3.2869 -2.44 -2.2131 -4.2131 -5.06 -5.2869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 12 13 14 16 16 18 19 20 21 22 23 24 25 11 13 12 14 18 19 20 21 22 23 27 28 27 28 25 24 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 520 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A38000000000000000000000000000000000000003060C0000000000000015000001E00000000000C04C198063206830004008802215210008208002020000888000E8CC80D272284B11B84302A65C6158AA98790E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N,N-bis(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-<I>N</I>,<I>N</I>-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N,N-bis(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H27NO4/c1-29-23-16-22(17-24(30-2)26(23)31-3)14-15-25(28)27(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3/b15-14+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OATVWNDEGYGLIL-CCEZHUSRSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.19400834 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H27NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1OC)OC)C=CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 48 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 417.19400834 31 0 0 0 1 1 0 0 1 -1