374262 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 8 8 8 7 7 7 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 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 11 11 11 12 12 15 15 16 16 17 17 17 18 18 18 19 19 20 21 22 22 22 13 14 21 7 8 27 9 17 18 10 21 30 10 13 9 23 24 25 26 14 12 13 15 14 16 19 28 20 29 31 32 33 34 35 36 20 37 38 22 39 40 41 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 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 5.4641 5.4641 4.5981 3.732 2.866 3.732 4.5981 3.732 2.866 4.5981 6.3301 6.3301 5.4641 5.4641 7.2241 7.2241 2 3.732 8.1301 8.1301 3.732 2.866 4.3426 3.9441 2.2554 2.654 3.1951 7.2169 7.2169 3.1951 2.31 1.4631 1.69 4.042 4.269 3.422 8.6659 8.6659 2.556 2.3291 3.176 1.25 -2.75 -3.25 0.25 2.75 -1.75 -0.25 1.25 1.75 -1.25 -0.25 -1.25 0.25 -1.75 0.2847 -1.7847 3.25 3.25 -0.2292 -1.2708 -2.75 -3.25 1.1423 1.8326 1.8577 1.1674 -0.06 0.9046 -2.4046 -1.44 3.7869 3.56 2.7131 2.7131 3.56 3.7869 0.0829 -1.5829 -2.7131 -3.56 -3.7869 8 8 8 8 8 8 11 11 12 15 16 19 12 15 16 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 511 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 00000371E07B3000000000000000000000000000000000000000304000000000000000810000001E00100000000C0CC19804320083C000008802A55250000200002400000888818800C80860328095319421002094008889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[2-(dimethylamino)ethylamino]-1,4-dioxo-2-naphthyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[2-(dimethylamino)ethylamino]-1,4-dioxo-2-naphthalenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-[2-(dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[2-(dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[2-(dimethylamino)ethylamino]-1,4-bis(oxidanylidene)naphthalen-2-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[2-(dimethylamino)ethylamino]-1,4-diketo-2-naphthyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H19N3O3/c1-10(20)18-14-13(17-8-9-19(2)3)15(21)11-6-4-5-7-12(11)16(14)22/h4-7,17H,8-9H2,1-3H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HFKQOPNYWJJXKP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCN(C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCN(C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 301.14264148 22 0 0 0 0 0 0 0 1 -1