9903898 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 8 8 8 7 6 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 2 2 3 4 4 4 5 5 5 5 6 6 7 7 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 18 20 20 20 21 21 21 8 19 20 19 8 19 31 6 7 8 22 9 11 10 12 13 23 14 24 15 25 16 26 17 27 18 28 17 29 18 30 32 33 21 34 35 36 37 38 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 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 2.866 2.866 2 3.732 4.5981 4.5981 5.4641 3.732 5.4641 6.3301 3.732 5.4641 5.4641 7.1962 3.732 6.3301 4.5981 7.1962 2.866 2 2 4.5981 6.001 6.3301 3.1951 4.9272 6.001 7.7331 3.1951 6.3301 4.269 4.5981 7.7331 1.3894 1.788 2.62 2 1.38 -0.75 2.25 0.75 0.75 -0.75 -1.75 -0.25 -0.25 -2.25 -0.75 -2.25 0.75 -3.25 -0.25 -3.25 1.25 -3.75 0.75 1.25 2.75 3.75 -0.13 -1.94 -1.37 -1.94 1.06 -3.56 -0.56 -3.56 1.87 1.06 -4.37 1.06 2.8577 2.1674 3.75 4.37 3.75 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 10 11 12 13 14 15 16 9 11 10 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 326 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100000000D00A19802320882C004008802215218000200002000000888010000890820328095118C20002094200888071888C08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl N-(2,2-diphenylacetyl)carbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1-oxo-2,2-diphenylethyl)carbamic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl <I>N</I>-(2,2-diphenylacetyl)carbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl N-(2,2-diphenylacetyl)carbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl N-(2,2-diphenylethanoyl)carbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,2-diphenylacetyl)carbamic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ILSZPWZFQHSKLW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.12084340 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H17NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.12084340 21 0 0 0 0 0 0 0 1 3