56951845 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 48 49 50 51 52 53 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 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 13 14 15 15 16 16 18 18 18 19 19 19 20 20 21 21 22 22 22 23 24 24 25 26 26 26 14 17 23 7 10 11 9 12 37 13 22 23 8 27 28 9 29 30 31 32 18 33 34 19 35 36 13 14 17 15 16 20 17 21 38 39 40 41 42 43 24 44 25 45 46 47 48 26 25 49 50 51 52 53 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 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 48 49 50 51 52 53 7.1962 7.1962 6.3301 3.732 5.4641 5.4641 4.5981 4.5981 5.4641 3.732 2.866 6.3301 6.3301 7.1962 8.0622 8.0622 7.1962 2.866 2 8.9561 8.9561 4.5981 5.4641 9.8622 9.8622 4.5981 5.2087 4.8101 3.9875 4.386 6.0747 5.6762 4.3426 3.9441 2.4675 3.2646 4.9272 3.176 2.3291 2.556 2.31 1.4631 1.69 8.949 8.949 4.9081 4.0611 4.2881 10.3979 10.3979 4.2881 4.0611 4.9081 0.5 -3.5 -4 2.5 -0.5 -2.5 2 1 0.5 3.5 2 -1 -2 -0.5 -1 -2 -2.5 4 2.5 -0.4653 -2.5347 -2 -3.5 -0.9792 -2.0208 -4 1.8923 2.5826 1.1077 0.4174 0.3923 1.0826 3.3923 4.0826 1.525 1.525 -0.81 4.5369 4.31 3.4631 3.0369 2.81 1.9631 0.1546 -3.1546 -1.4631 -1.69 -2.5369 -0.6671 -2.3329 -3.4631 -4.31 -4.5369 8 8 8 8 8 8 15 15 16 20 21 24 16 20 21 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 581 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000304000000000000000810000001E00100000000C0CC19804320083C000008802A55250000200002400000888818800C808203280D5318421002096008889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[3-(diethylamino)propylamino]-1,4-dioxo-2-naphthyl]-N-methyl-acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[3-(diethylamino)propylamino]-1,4-dioxo-2-naphthalenyl]-N-methylacetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[3-[3-(diethylamino)propylamino]-1,4-dioxonaphthalen-2-yl]-<I>N</I>-methylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[3-(diethylamino)propylamino]-1,4-dioxonaphthalen-2-yl]-N-methylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[3-(diethylamino)propylamino]-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-methyl-ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[3-[3-(diethylamino)propylamino]-1,4-diketo-2-naphthyl]-N-methyl-acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H27N3O3/c1-5-23(6-2)13-9-12-21-17-18(22(4)14(3)24)20(26)16-11-8-7-10-15(16)19(17)25/h7-8,10-11,21H,5-6,9,12-13H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BFRXUYUSNFNDHS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.20524173 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H27N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.20524173 26 0 0 0 0 0 0 0 1 -1