903 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 11 11 12 12 13 14 15 16 16 16 13 30 15 8 10 22 9 15 25 6 7 10 9 17 18 8 11 12 19 20 21 13 23 14 24 14 26 16 27 28 29 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 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 2.5369 9.3274 6.0812 7.6811 6.0812 6.3919 5.135 5.135 7.3704 6.6648 4.269 4.269 3.403 3.403 8.6596 8.9702 6.3713 5.7781 7.391 7.9842 7.2848 6.2738 4.269 4.269 7.267 2.866 9.5596 9.1628 8.3809 2 -0.3373 1.0366 -2.1421 1.5747 -0.5326 0.4179 -0.8373 -1.8373 0.6241 -1.3373 -0.3373 -2.3373 -0.8373 -1.8373 1.7809 2.7314 1.0376 0.5053 0.0045 0.5368 -1.3373 -2.7314 0.2827 -2.9573 2.0361 -2.1473 2.5388 3.3207 2.924 -0.6473 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 8 11 12 13 8 10 7 10 8 11 12 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 257 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073300000000000000000000000000000016000000030000000000000005801F000001E00100800000C0CC19E043EC6F2C99200A8033577540082802031222008D9A03E6C980826E2C2919384700864D611C8D807B0D0F20E80400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(5-hydroxy-1<I>H</I>-indol-3-yl)ethyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MVAWJSIDNICKHF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.105527694 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H14N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 65.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 218.105527694 16 0 0 0 0 0 0 0 1 -1