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26.2487 11.5263 30.5788 7.1962 25.3827 12.3923 31.4449 6.3301 24.5167 13.2583 32.3109 5.4641 23.6506 14.1244 33.1769 4.5981 22.7846 14.9904 34.0429 3.732 21.9186 15.8564 34.909 2.866 21.0526 16.7224 35.775 2 19.3205 18.4545 28.3793 27.5822 9.3957 10.1928 28.4483 29.2453 9.3267 8.5297 26.7162 27.5133 11.0588 10.2617 30.1113 29.3143 7.6636 8.4607 26.6472 25.8502 11.1278 11.9248 30.1803 30.9774 7.5947 6.7976 24.9842 25.7812 12.7908 11.9938 31.8434 31.0463 5.9316 6.7287 24.9152 24.1181 12.8598 13.6569 31.9124 32.7094 5.8626 5.0656 23.2521 24.0492 14.5229 13.7258 33.5754 32.7784 4.1996 4.9966 23.1831 22.3861 14.5919 15.3889 33.6444 34.4415 4.1306 3.3335 21.5201 22.3171 16.2549 15.4579 35.3075 34.5104 2.4675 3.2646 35.465 36.3119 36.085 2.31 1.4631 1.69 19.719 18.922 18.056 18.853 20.1865 17.5885 1.25 -1.25 -0.25 0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 0.25 -0.25 -0.25 0.25 0.25 -0.25 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7249 -0.7249 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.7249 0.7249 -0.7249 -0.7249 -0.7869 -0.56 0.2869 0.7869 0.56 -0.2869 0.7249 0.7249 -0.7249 -0.7249 -0.87 0.87 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 503 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 35 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371F07F3000000000000000000000000000000000000000000000000000000000000000001E00100000000800C18004020002C000000800011010000000000000000000810800000040120080001400000016008000011888808000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(octadecanoylamino)ethyl]octadecanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(1-oxooctadecylamino)ethyl]octadecanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(octadecanoylamino)ethyl]octadecanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(octadecanoylamino)ethyl]octadecanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(octadecanoylamino)ethyl]octadecanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-stearamidoethyl)stearamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RKISUIUJZGSLEV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 15.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 592.59067967 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C38H76N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 593.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 592.59067967 42 0 0 0 0 0 0 0 1 -1