1122154 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 8 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 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 14 14 15 16 16 17 17 18 19 21 21 21 22 22 22 23 23 23 10 18 21 19 22 20 23 6 7 10 8 24 25 9 26 27 11 28 29 12 30 31 13 32 33 34 35 36 37 15 38 15 16 17 39 19 40 18 41 20 20 42 43 44 45 46 47 48 49 50 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 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 13 10 38 15 39 14 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 4.5981 2.866 6.3301 4.5981 6.3301 6.3301 7.1962 7.1962 8.0622 5.4641 7.1962 8.9282 5.4641 4.5981 4.5981 5.4641 3.732 3.732 5.4641 4.5981 2 7.1962 3.732 6.1181 5.7196 6.7976 7.5947 7.4082 7.8067 8.4607 7.6636 7.8162 7.1962 6.5762 8.6182 9.4651 9.2382 6.001 4.0611 6.001 3.1951 2.31 1.4631 1.69 7.5062 7.7331 6.8862 3.422 3.1951 4.042 2 -3 -3 -4 2 3 1.5 3.5 2 1.5 4.5 1.5 0.5 -1 0 -1.5 -1.5 -2.5 -2.5 -3 -2.5 -2.5 -4.5 3.5826 2.8923 1.025 1.025 2.9174 3.6077 2.475 2.475 4.5 5.12 4.5 0.9631 1.19 2.0369 0.19 0.31 -1.19 -1.19 -1.9631 -2.19 -3.0369 -3.0369 -2.19 -1.9631 -3.9631 -4.81 -5.0369 8 8 8 8 8 8 14 14 16 17 18 19 16 17 19 18 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 352 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3800000000000000000000000000000000000000300000000000000000010000001E00000000000C04C198063206830004008802215210008208002020000888000E88C80D272284311A84302225C6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-dipropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-dipropyl-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>E</I>)-<I>N</I>,<I>N</I>-dipropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-dipropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-dipropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-dipropyl-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H27NO4/c1-6-10-19(11-7-2)17(20)9-8-14-12-15(21-3)18(23-5)16(13-14)22-4/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VDOAWWSDXQSXGU-CMDGGOBGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.19400834 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H27NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCN(CCC)C(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 48 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.19400834 23 0 0 0 1 1 0 0 1 -1