1530261 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 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 2 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 13 14 15 15 16 17 17 18 18 19 19 19 20 20 20 21 21 21 22 22 23 23 9 19 10 20 11 21 14 7 8 14 12 13 15 17 24 25 18 26 27 10 11 12 13 28 29 16 16 30 31 22 32 23 33 34 35 36 37 38 39 40 41 42 43 44 45 46 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15 6 30 16 14 31 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 6.3301 8.0622 4.5981 6.3301 4.5981 6.3301 4.5981 3.732 6.3301 7.1962 5.4641 7.1962 5.4641 5.4641 6.3301 5.4641 3.732 2.866 7.1962 8.9282 3.732 3.732 2 4.8101 5.2087 4.1306 3.3335 7.7331 4.9272 6.8671 4.9272 3.1951 2.866 7.5062 7.7331 6.8862 8.6182 9.4651 9.2382 3.422 3.1951 4.042 3.1951 4.269 2 1.4631 4 3 3 -2 -2 1 -3 -1.5 3 2.5 2.5 1.5 1.5 -1.5 -0 -0.5 -3.5 -2 4.5 2.5 2.5 -4.5 -1.5 -3.5826 -2.8923 -1.025 -1.025 1.19 1.19 -0.31 -0.19 -3.19 -2.62 3.9631 4.81 5.0369 1.9631 2.19 3.0369 3.0369 2.19 1.9631 -4.81 -4.81 -0.88 -1.81 8 8 8 8 8 8 1 6 6 9 9 10 11 15 12 13 10 11 12 13 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 397 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3800000000000000000000000000000000000000300000000000000000010000001E00000000000C04C198063206830004008802215210008208002020000888000E88C80D272284311A80302225C6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diallyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-bis(prop-2-enyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>,<I>N</I>-bis(prop-2-enyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-bis(prop-2-enyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-bis(prop-2-enyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diallyl-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H23NO4/c1-6-10-19(11-7-2)17(20)9-8-14-12-15(21-3)18(23-5)16(13-14)22-4/h6-9,12-13H,1-2,10-11H2,3-5H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QRERSQDFWPAXJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.16270821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H23NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)C=CC(=O)N(CC=C)CC=C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=CC(=C1OC)OC)C=CC(=O)N(CC=C)CC=C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 48 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.16270821 23 0 0 0 1 0 1 0 1 -1