3163405 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 8 8 7 7 7 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 2 3 3 3 4 4 4 5 5 6 6 6 6 8 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 19 19 20 21 21 22 22 23 23 24 7 18 7 11 34 16 18 37 13 17 7 8 9 10 25 26 27 28 29 30 31 32 33 12 14 13 15 18 19 35 20 36 17 21 22 20 38 39 23 40 24 41 24 42 43 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 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 6.3981 6.3981 5.5321 4.666 4.666 4.666 5.5321 3.8 5.166 4.166 6.3981 6.3981 5.5321 7.2641 7.2641 3.8 3.8 5.5321 8.1301 8.1301 2.9061 2.9061 2 2 4.11 3.2631 3.49 5.703 5.476 4.6291 3.6291 3.856 4.703 4.9951 7.2641 7.2641 4.666 8.6671 8.6671 2.9132 2.9132 1.4643 1.4643 2.377 -2.623 0.877 -2.623 -0.623 2.377 1.877 2.877 3.243 1.511 0.377 -0.623 -1.123 0.877 -1.123 -2.123 -1.123 -2.123 0.377 -0.623 -2.6577 -0.5884 -2.1438 -1.1022 3.4139 3.187 2.3401 2.933 3.78 3.553 1.821 0.974 1.201 0.567 1.497 -1.743 -3.243 0.687 -0.933 -3.2776 0.0316 -2.4559 -0.7901 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 11 11 12 13 14 15 16 16 17 19 21 22 23 16 18 13 17 12 14 15 18 19 20 17 21 22 20 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 535 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000E0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-<I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]propanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2-dimethyl-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2,2-dimethyl-propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O2/c1-19(2,3)18(24)22-13-9-5-4-8-12(13)16-17(23)21-15-11-7-6-10-14(15)20-16/h4-11H,1-3H3,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JTQRBGJBVDYTOY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.147726857 24 0 0 0 0 0 0 0 1 -1