8430 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 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 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 18 18 18 19 19 20 20 15 19 52 20 53 15 16 17 6 7 21 22 8 23 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 15 35 36 14 37 38 18 39 40 19 41 42 20 43 44 45 46 47 48 49 50 51 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 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 44 45 46 47 48 49 50 51 52 53 6.001 2.5369 4.269 5.135 10.3312 9.4651 11.1972 8.5991 12.0632 7.7331 12.9292 6.8671 13.7953 14.6613 6.001 4.269 5.135 15.5273 3.403 4.269 9.9326 10.7297 9.8637 9.0666 11.5957 10.7987 8.2006 8.9976 11.6647 12.4617 8.1316 7.3346 13.3278 12.5307 6.4685 7.2656 13.3967 14.1938 15.0598 14.2628 4.6675 3.8705 5.3471 5.7456 15.2173 16.0643 15.8373 3.0044 3.8015 4.0569 3.6584 2 3.732 2.155 1.155 -1.845 0.655 0.655 1.155 1.155 0.655 0.655 1.155 1.155 0.655 0.655 1.155 1.155 1.155 -0.345 0.655 0.655 -0.845 0.1801 0.1801 1.63 1.63 1.63 1.63 0.1801 0.1801 0.1801 0.1801 1.63 1.63 1.63 1.63 0.1801 0.1801 0.1801 0.1801 1.63 1.63 1.63 1.63 -0.9276 -0.2373 0.1181 0.345 1.1919 0.1801 0.1801 -0.2624 -0.9527 0.845 -2.155 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 216 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F07A3000000000000000000000000000000000000000000000000000000000000000001E00000800000800E180060200030002000800011010000000000000000000010800000210120080000400000006009000011888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N,N-bis(2-hydroxyethyl)lauramide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AOMUHOFOVNGZAN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 287.246044 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C16H33NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 287.43812 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCC(=O)N(CCO)CCO SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCC(=O)N(CCO)CCO Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 60.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 287.246044 20 0 0 0 0 0 0 0 1 1