70550583 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 8 8 8 8 7 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 9 9 9 10 10 10 11 11 11 12 12 13 14 14 15 15 16 17 19 19 19 20 20 20 21 21 21 16 19 17 20 18 21 8 6 7 8 10 22 23 11 24 25 12 13 14 15 26 27 28 29 30 31 13 32 33 17 34 16 35 18 18 39 40 41 42 43 44 36 37 38 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 12 8 32 13 33 9 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 2.866 6.3301 4.5981 4.5981 6.3301 6.3301 7.1962 5.4641 4.5981 7.1962 8.0622 5.4641 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 7.5062 7.7331 6.8862 8.3722 8.5991 7.7522 6.001 4.0611 6.001 3.1951 3.422 3.1951 4.042 2.31 1.4631 1.69 7.5062 7.7331 6.8862 -2.5 -2.5 -3.5 2.5 2.5 3.5 2 2 -0.5 4 2.5 1 0.5 -1 -1 -2 -2 -2.5 -2 -2 -4 4.0826 3.3923 1.525 1.525 3.4631 4.31 4.5369 1.9631 2.81 3.0369 0.69 0.81 -0.69 -0.69 -3.4631 -4.31 -4.5369 -1.4631 -1.69 -2.5369 -2.5369 -1.69 -1.4631 8 8 8 8 8 8 9 9 14 15 16 17 14 15 17 16 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 327 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3800000000000000000000000000000000000000300000000000000000010000001E00000000000C04C198063206830004008802215210008208002020000888000E88C80D272284311A80302225C6158AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-N,N-diethyl-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-diethyl-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>-diethyl-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-diethyl-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-diethyl-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-diethyl-3-(3,4,5-trimethoxyphenyl)acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H23NO4/c1-6-17(7-2)15(18)9-8-12-10-13(19-3)16(21-5)14(11-12)20-4/h8-11H,6-7H2,1-5H3/b9-8+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AVHBHSSFLFWJCY-CMDGGOBGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.16270821 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H23NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)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 2021.10.14 293.16270821 21 0 0 0 1 1 0 0 1 -1