4754 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 8 8 7 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 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 10 10 11 11 11 12 13 13 13 5 10 12 4 12 20 6 7 8 9 8 14 9 15 16 17 11 18 19 21 22 23 13 24 25 26 1 1 2 1 1 1 2 1 2 1 1 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 2.866 4.5981 2.866 2.866 2.866 2 3.732 2 3.732 2 2 3.732 3.732 1.4631 4.269 1.4631 4.269 1.788 1.3894 2.3291 1.38 2 2.62 4.352 3.732 3.112 -2 2 2 1 -1 0.5 0.5 -0.5 -0.5 -2.5 -3.5 2.5 3.5 0.81 0.81 -0.81 -0.81 -1.9174 -2.6077 2.31 -3.5 -4.12 -3.5 3.5 4.12 3.5 8 8 8 8 8 8 4 4 5 5 6 7 6 7 8 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 162 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0723000000000000000000000000000000000000000300000000000000000010000001E0010000000080CA1900232C682C00400880025525000820800212200088800066C880C2622C4B19B863828E4D411C8E807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-ethoxyphenyl)acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-ethoxyphenyl)acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-ethoxyphenyl)acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(4-ethoxyphenyl)ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-p-phenetylacetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CPJSUEIXXCENMM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.094629 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H13NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.21572 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=CC=C(C=C1)NC(=O)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=CC=C(C=C1)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 38.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.094629 13 0 0 0 0 0 0 0 1 3