60286859 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 8 8 8 7 7 7 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 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 10 10 10 11 11 11 12 12 12 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 9 13 16 7 8 13 9 11 12 13 16 37 9 27 28 10 29 30 16 35 36 14 31 32 15 33 34 17 19 18 20 21 38 22 39 23 40 24 41 25 42 26 43 25 44 26 45 46 47 2 2 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 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 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 2.866 6.3301 4.5981 4.5981 3.732 5.4641 4.5981 3.732 3.732 3.732 2.866 4.5981 5.4641 2.866 5.4641 4.5981 3.732 6.3301 2 5.4641 3.732 7.1962 2 6.3301 2.866 7.1962 4.8101 5.2087 3.1215 3.52 2.654 2.2554 4.1996 4.9966 3.52 3.1215 6.001 4.269 6.3301 1.4631 4.9272 4.269 7.7331 1.4631 6.3301 2.866 7.7331 0.5 1.5 4.5 1.5 -1 3 0.5 2 -0 3 -1.5 -1.5 2 -2.5 -1 3.5 -3 -1.5 -3 -0 -4 -1 -4 0.5 -4.5 -0 -0.0826 0.6077 2.1077 1.4174 -0.9174 -1.6077 -1.975 -1.975 3.5826 2.8923 3.31 -2.69 -2.12 -2.69 0.31 -4.31 -1.31 -4.31 1.12 -5.12 0.31 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 15 17 18 19 20 21 22 23 24 17 19 18 20 21 22 23 24 25 26 25 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 490 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C6080000000000000014000001E00100000000C00C19804310083C0000088022152100082000020000008880188048888602A80D1319420086897228888071080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dibenzyl-2-(2,4-dioxohexahydropyrimidin-1-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2,4-dioxo-1,3-diazinan-1-yl)-N,N-bis(phenylmethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>,<I>N</I>-dibenzyl-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dibenzyl-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-N,N-bis(phenylmethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dibenzyl-2-(2,4-diketohexahydropyrimidin-1-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H21N3O3/c24-18-11-12-22(20(26)21-18)15-19(25)23(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XYXOSCVBSFIJHB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C(=O)NC1=O)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C(=O)NC1=O)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.15829154 26 0 0 0 0 0 0 0 1 -1