2249 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 8 8 8 7 7 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 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 17 18 18 18 9 12 7 33 19 6 8 24 19 40 41 7 20 21 9 22 10 11 23 25 26 27 28 29 30 31 32 14 15 16 17 18 16 34 17 35 36 37 19 38 39 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 7 2 6 9 22 3 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 5.4641 5.4641 7.1962 3.732 6.3301 3.732 4.5981 2.866 4.5981 2.866 2 5.4641 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 6.3301 3.52 3.1215 4.5981 3.403 4.269 4.386 3.9875 2.246 2.866 3.486 2.31 1.4631 1.69 5.4641 6.8671 4.0611 6.8671 4.0611 5.252 4.8535 6.8671 5.7932 -0.655 -2.655 3.345 -3.655 4.845 -2.655 -2.155 -4.155 -1.155 -5.155 -3.655 0.345 2.345 0.845 0.845 1.845 1.845 3.345 3.845 -2.0724 -2.7627 -2.775 -4.465 -3.965 -0.5724 -1.2627 -5.155 -5.775 -5.155 -3.1181 -3.345 -4.1919 -3.275 0.535 0.535 2.155 2.155 3.9276 3.2373 5.155 5.155 3 8 8 8 8 8 8 7 12 12 13 13 14 15 2 14 15 16 17 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 263 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733000000000000000000000000000000000000000300000000000000000010000001E00100800000C3CE19806320682C006008802215210000208002020000888810E08880F363284B51B863820A6D0119BA80798C8808E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 METKIMKYRPQLGS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.16304257 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H22N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 84.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.16304257 19 1 0 1 0 0 0 0 1 -1