38945 -OEChem-10051719283D 30 30 0 1 0 0 0 0 0999 V2000 -1.5901 0.2161 1.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 0.0315 -0.5933 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 0.9412 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7864 -0.0010 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -1.2205 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.1870 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9995 0.1392 -0.4273 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6577 0.1400 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -1.2525 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 1.1549 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6506 -2.5097 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 2.5093 -0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 -0.0649 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 -1.2706 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 0.6077 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -0.1573 -1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -2.1938 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 2.0705 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0989 -2.5484 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -2.6244 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 -3.3743 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 3.3273 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 2.5160 -1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 2.7274 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 -0.0899 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6744 -1.7665 0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5311 -1.2596 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 -1.8876 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 0.9639 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5922 1.9074 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END > DB01056 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BUJAGSGYPOAWEI-UHFFFAOYSA-N/SDF?record_type=3d > CC(N)C(=O)NC1=C(C)C=CC=C1C > InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14) > BUJAGSGYPOAWEI-UHFFFAOYSA-N > C11H16N2O > 192.2575 > 192.126263144 > 2 > 30 > 0.9440798685707408 > 21.594435979157716 > 1 > 2 > 0 > 1 > 2-amino-N-(2,6-dimethylphenyl)propanamide > 0.55 > 1.882433361666667 > -2.08 > 0 > 1 > 1 > 1 > 13.653853954939184 > 8.227442379036676 > 55.120000000000005 > 58.857000000000006 > 2 > 1 > 1.60e+00 g/l > tetrahydrofolic acid > 0 $$$$