5095 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 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 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 12 12 12 13 13 13 14 14 16 16 17 18 18 18 19 19 19 15 4 7 8 11 15 35 5 20 21 6 22 23 9 14 13 24 25 12 26 27 10 11 15 28 29 16 19 31 32 18 30 33 17 34 17 36 37 39 40 41 38 42 43 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 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 38 39 40 41 42 43 7.9939 3.732 6.4103 3.732 4.5981 4.5981 2.866 4.5981 5.4641 6.4103 5.4641 4.5981 2.866 3.732 6.9939 4.5981 3.732 2 5.4641 3.1215 3.52 5.2087 4.8101 2.2554 2.654 4.8101 5.2087 6.9477 6.1593 3.4766 4.386 3.9875 3.0781 3.1951 6.6029 4.5981 3.1951 5.7741 2.31 1.4631 1.69 6.001 5.1541 -2.053 1.447 -2.8577 0.447 -0.053 -1.053 1.947 1.947 -1.553 -1.2482 -2.553 2.947 2.947 -1.553 -2.053 -3.053 -2.553 3.447 3.447 0.5547 -0.1356 -0.1606 0.5296 2.0547 1.3644 1.3644 2.0547 -0.939 -0.6813 2.8394 3.5296 2.8394 3.5296 -1.243 -3.447 -3.673 -2.863 2.9101 3.984 3.757 2.9101 3.757 3.984 8 8 8 8 8 8 6 6 9 11 14 16 9 14 11 16 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 287 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07B2000000000000000000000000000000160000000300000000000000058010000001E00100000000C08C1980432C083C00000880225525000820000210200088801086488082032C09591842008609400C8C8071C88808E80000040001200000000008000240000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[2-(dipropylamino)ethyl]indolin-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-[2-(dipropylamino)ethyl]oxindole InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UHSKFQJFRQCDBE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 260.188863 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C16H24N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 260.37456 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 32.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 260.188863 19 0 0 0 0 0 0 0 1 3