12051810 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 8 8 8 8 7 7 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 2 3 3 4 5 5 5 6 6 6 7 7 8 8 8 9 10 10 13 13 13 14 14 15 15 16 16 17 17 18 19 20 20 20 21 21 21 11 12 16 21 19 7 13 22 9 19 27 9 11 10 11 14 12 12 15 16 23 24 17 25 18 26 28 29 18 30 31 20 32 33 34 35 36 37 2 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 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 5.4641 5.4641 2.866 4.5981 3.732 3.732 4.5981 6.3301 4.5981 6.3301 5.4641 5.4641 3.732 7.2241 7.2241 2.866 8.1301 8.1301 3.732 2.866 2 3.1951 4.3426 3.9441 7.2169 7.2169 3.1951 2.2554 2.654 8.6659 8.6659 2.556 2.3291 3.176 2.31 1.4631 1.69 1.25 -2.75 2.75 -3.25 0.25 -1.75 -0.25 -0.25 -1.25 -1.25 0.25 -1.75 1.25 0.2847 -1.7847 1.75 -0.2292 -1.2708 -2.75 -3.25 3.25 -0.06 1.1423 1.8326 0.9046 -2.4046 -1.44 1.8577 1.1674 0.0829 -1.5829 -2.7131 -3.56 -3.7869 3.7869 3.56 2.7131 8 8 8 8 8 8 8 8 10 14 15 17 10 14 15 17 18 18 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000304000000000000000810000001E00100000000C0CE19806320082C004008802A55250000200002400000888818800C80A20328095318521002094009889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxyethylamino)-1,4-dioxo-2-naphthyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxyethylamino)-1,4-dioxo-2-naphthalenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-(2-methoxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-(2-methoxyethylamino)-1,4-bis(oxidanylidene)naphthalen-2-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1,4-diketo-3-(2-methoxyethylamino)-2-naphthyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16N2O4/c1-9(18)17-13-12(16-7-8-21-2)14(19)10-5-3-4-6-11(10)15(13)20/h3-6,16H,7-8H2,1-2H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HABKMYLFAPUVFE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCOC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCOC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 84.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.11100700 21 0 0 0 0 0 0 0 1 -1