10515349 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 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 2 3 4 4 4 5 5 5 6 6 7 8 8 8 10 10 11 11 12 13 14 15 15 16 16 16 17 17 18 19 19 19 7 18 9 14 7 9 14 6 9 20 10 11 15 12 13 16 12 21 13 22 23 24 19 17 25 26 27 28 18 29 30 31 32 33 1 1 2 2 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 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 5.5116 4.5981 2 3.732 2.866 2.866 4.5981 2.866 3.732 3.732 2 3.732 2 2.866 4.7026 2.866 5.6808 6.1808 2.866 2.3291 4.269 1.4631 4.269 1.4631 4.2419 2.246 2.866 3.486 5.9329 6.7974 3.486 2.866 2.246 1.992 0.3988 1.8988 1.8988 0.3988 -0.6012 2.3988 -2.6012 0.8988 -1.1012 -1.1012 -2.1012 -2.1012 2.3988 3.3933 -3.6012 3.6012 2.7352 3.3988 0.7088 -0.7912 -0.7912 -2.4112 -2.4112 3.8082 -3.6012 -4.2212 -3.6012 4.1676 2.6704 3.3988 4.0188 3.3988 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 8 8 10 11 15 17 7 18 10 11 15 12 13 12 13 17 18 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073300000000000000000000000000000012000000030000000000000000001C000001E00100000000C08A1980233C483C0044088022D52D0008208002D2200088801066CC88C2632C4B59B8E3928ECD533C8E9A73480000E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furyl)-N-(p-tolylcarbamoyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furanyl)-N-[(4-methylanilino)-oxomethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(furan-2-yl)-<I>N</I>-[(4-methylphenyl)carbamoyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-yl)-N-[(4-methylphenyl)carbamoyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-yl)-N-[(4-methylphenyl)carbamoyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furyl)-N-(p-tolylcarbamoyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H14N2O3/c1-10-5-7-12(8-6-10)15-14(18)16(11(2)17)13-4-3-9-19-13/h3-9H,1-2H3,(H,15,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SAFXRYIKUKGZPA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)NC(=O)N(C2=CC=CO2)C(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)NC(=O)N(C2=CC=CO2)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.10044231 19 0 0 0 0 0 0 0 1 -1