51605 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 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 1 1 1 2 2 3 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 13 14 14 16 16 17 17 18 18 18 19 19 20 20 21 22 22 22 6 8 9 14 15 18 15 7 15 31 7 23 24 25 26 10 11 12 13 12 27 13 28 29 30 16 17 19 32 20 33 22 34 35 21 36 21 37 38 39 40 41 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 31 32 33 34 35 36 37 38 39 40 41 5.4641 5.4641 2.866 4.5981 3.732 4.5981 4.5981 5.4641 5.4641 6.3301 4.5981 6.3301 4.5981 6.3301 3.732 7.1962 6.3301 2.866 8.0622 7.1962 8.0622 2 4.386 3.9875 4.8101 5.2087 6.8671 4.0611 6.8671 4.0611 3.1951 7.1962 5.7932 3.0781 3.4766 8.5991 7.1962 8.5991 1.69 1.4631 2.31 -0.5 3.5 -4 -4 -2.5 -1 -2 0.5 2.5 1 1 2 2 4 -3.5 3.5 5 -5 4 5.5 5 -5.5 -0.4174 -1.1077 -2.5826 -1.8923 0.69 0.69 2.31 2.31 -2.19 2.88 5.31 -5.5826 -4.8923 3.69 6.12 5.31 -4.9631 -5.81 -6.0369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 11 14 14 16 17 19 20 10 11 12 13 12 13 16 17 19 20 21 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 310 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E07A3800000000000000000000000000000000000000306000000000000000014000001E00100000000804E19006320E82C004008800204218000208002020000888800E08890E262284311A8B3820A4D61118A807C040000001000000000000000200000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[2-(4-phenoxyphenoxy)ethyl]carbamic acid ethyl ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[2-(4-phenoxyphenoxy)ethyl]carbamic acid ethyl ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HJUFTIJOISQSKQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 301.131408 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C17H19NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 301.33706 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 56.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 301.131408 22 0 0 0 0 0 0 0 1 2