60618560 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 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 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 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 12 13 14 15 15 16 16 17 17 18 18 18 19 19 20 20 21 22 23 23 24 24 25 26 27 28 28 28 29 29 29 14 25 28 26 29 6 12 14 6 7 9 30 31 8 10 15 16 11 32 13 33 13 34 35 36 37 38 17 19 39 20 40 21 41 21 23 24 22 42 22 43 44 45 25 46 27 47 26 27 48 49 50 51 52 53 54 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 17 14 41 21 44 18 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 4.5981 2.866 4.5981 6.3301 7.1962 6.3301 7.1962 6.3301 8.0622 8.0622 8.9282 7.1962 8.9282 5.4641 6.3301 5.4641 5.4641 4.5981 5.4641 4.5981 4.5981 4.5981 3.732 5.4641 3.732 4.5981 5.4641 2 5.4641 6.1181 5.7196 8.0622 8.0622 9.4651 6.8862 7.7331 7.5062 9.4651 6.8671 5.4641 6.001 5.4641 4.0611 4.0611 4.0611 3.1951 6.001 6.001 2.31 1.4631 1.69 5.1541 6.001 5.7741 1 -4 -5 1 2.5 2 3.5 4 2 4 2.5 0.5 3.5 0.5 5 3.5 -0.5 -2 5.5 4 -1 5 -2.5 -2.5 -3.5 -4 -3.5 -3.5 -5.5 2.5826 1.8923 1.38 4.62 2.19 -0.0369 0.19 1.0369 3.81 5.31 2.88 -0.81 6.12 3.69 -0.69 5.31 -2.19 -2.19 -3.81 -2.9631 -3.19 -4.0369 -6.0369 -5.81 -4.9631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 8 9 10 11 15 16 18 18 19 20 23 24 25 26 7 9 10 15 16 11 13 13 19 20 23 24 22 22 25 27 26 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 528 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A30000000000000000000000000000000000000003060C0000000000000015000001E00000000000C04C198063206830004008802215210008208002020000888000E8CC80D262284B11B84302A64C6118AA98790C0D00EA0000100001040004000020000208000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-phenylphenyl)methyl]prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-phenylphenyl)methyl]-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-3-(3,4-dimethoxyphenyl)-<I>N</I>-methyl-<I>N</I>-[(2-phenylphenyl)methyl]prop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-phenylphenyl)methyl]prop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-[(2-phenylphenyl)methyl]prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-3-(3,4-dimethoxyphenyl)-N-methyl-N-(2-phenylbenzyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C25H25NO3/c1-26(18-21-11-7-8-12-22(21)20-9-5-4-6-10-20)25(27)16-14-19-13-15-23(28-2)24(17-19)29-3/h4-17H,18H2,1-3H3/b16-14+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ASLGQAUFHMFEER-JQIJEIRASA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.18344366 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C25H25NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1C2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CC1=CC=CC=C1C2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.18344366 29 0 0 0 1 1 0 0 1 -1