49732 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 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 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 8 9 9 9 11 11 12 12 13 13 14 15 15 15 16 16 16 17 17 17 18 18 18 11 17 10 5 10 24 8 9 23 6 7 12 15 13 16 11 19 20 10 21 22 25 26 14 27 14 28 29 30 31 32 33 34 35 18 36 37 38 39 40 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 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 39 40 6.3301 5.4641 3.732 5.4641 3.732 2.866 4.5981 5.4641 4.5981 4.5981 6.3301 2.866 4.5981 3.732 2 5.4641 7.1962 7.1962 5.252 4.8535 4.386 3.9875 6.001 3.1951 6.5422 6.9407 2.3291 5.135 3.732 2.31 1.4631 1.69 5.7741 6.001 5.1541 7.4082 7.8067 7.8162 7.1962 6.5762 3 -1.5 -1.5 0.5 -2.5 -3 -3 1.5 0 -1 2 -4 -4 -4.5 -2.5 -2.5 3.5 4.5 2.0826 1.3923 0.5826 -0.1077 0.19 -1.19 1.4174 2.1077 -4.31 -4.31 -5.12 -1.9631 -2.19 -3.0369 -3.0369 -2.19 -1.9631 2.9174 3.6077 4.5 5.12 4.5 8 8 8 8 8 8 5 5 6 7 12 13 6 7 12 13 14 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 236 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0733000000000000000000000000000000000000000300000000000000000010000001E00100000000C08E1980632C082C004008802255250008200002100000888808844880A6022C091B1972008609400D8C8071080400E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2,6-dimethylphenyl)-2-(2-ethoxyethylamino)acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2,6-dimethylphenyl)-2-(2-ethoxyethylamino)acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2,6-dimethylphenyl)-2-(2-ethoxyethylamino)acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2,6-dimethylphenyl)-2-(2-ethoxyethylamino)ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2,6-dimethylphenyl)-2-(2-ethoxyethylamino)acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H22N2O2/c1-4-18-9-8-15-10-13(17)16-14-11(2)6-5-7-12(14)3/h5-7,15H,4,8-10H2,1-3H3,(H,16,17) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HNCOUYQLLXSCOR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.168128 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H22N2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.33668 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOCCNCC(=O)NC1=C(C=CC=C1C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOCCNCC(=O)NC1=C(C=CC=C1C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 50.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 250.168128 18 0 0 0 0 0 0 0 1 3