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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 216 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07A3000000000000000000000000000000000000000000000000000000000000000001E00000800000800E180060200030002000800011010000000000000000000010800000210120080000400000006009000011888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-bis(2-hydroxyethyl)dodecanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-bis(2-hydroxyethyl)dodecanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-bis(2-hydroxyethyl)lauramide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 1.0.6 InChI iupac.org 2021.10.14 AOMUHOFOVNGZAN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.24604391 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H33NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.44 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCC(=O)N(CCO)CCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCC(=O)N(CCO)CCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 60.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.24604391 20 0 0 0 0 0 0 0 1 -1