3676 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 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 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 16 16 17 8 4 5 6 7 8 24 8 18 19 11 20 21 12 22 23 9 10 13 15 14 16 26 27 28 25 29 30 17 31 17 32 33 34 35 36 37 38 39 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 5.4641 5.4641 3.732 4.5981 5.4641 6.3301 3.732 4.5981 2.866 4.5981 6.3301 7.1962 2.866 4.5981 2 5.4641 3.732 4.386 3.9875 5.252 4.8535 5.9316 6.7287 3.1951 7.5062 6.6401 6.8671 6.0201 7.7331 6.8862 2.3291 5.135 2.31 1.4631 1.69 5.7741 6.001 5.1541 3.732 -0.25 1.75 -0.25 1.25 2.75 1.25 -1.25 0.25 -1.75 -1.75 3.25 1.75 -2.75 -2.75 -1.25 -1.25 -3.25 1.8326 1.1423 3.3326 2.6423 0.7751 0.7751 0.06 1.2131 2.7131 3.56 3.7869 2.06 2.2869 -3.06 -3.06 -0.7131 -0.94 -1.7869 -1.7869 -0.94 -0.7131 -3.87 8 8 8 8 8 8 7 7 9 10 13 14 9 10 13 14 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 228 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371E0732000000000000000000000000000000000000000300000000000000000010000001E00100000000C08C1980432C083C00000880225525000820000210000088800884488086022C091B1942008609400C8C8071080400E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 NNJVILVZKWQKPM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 234.173213 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H22N2O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 234.33728 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCN(CC)CC(=O)NC1=C(C=CC=C1C)C Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 32.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 234.173213 17 0 0 0 0 0 0 0 1 3