2078 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 17 8 8 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 2 2 3 4 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 13 13 14 15 15 15 16 16 16 17 17 18 18 18 17 13 18 14 5 13 14 6 7 8 10 9 11 15 19 20 16 21 22 12 23 12 24 27 25 26 17 28 29 30 31 32 33 34 35 36 37 38 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 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 6.3301 3.732 6.3301 4.5981 4.5981 5.4641 3.732 6.3301 2.866 5.4641 3.732 4.5981 3.732 5.4641 7.1962 2 5.4641 2.866 6.7287 5.9316 3.2646 2.4675 6.001 3.1951 3.1215 3.52 4.5981 6.8862 7.7331 7.5062 1.69 1.4631 2.31 5.252 4.8535 3.176 2.3291 2.556 2.5 2 0.5 0.5 -0.5 -1 -1 -0.5 -0.5 -2 -2 -2.5 1 1 -1 -1 2 2.5 -0.0251 -0.0251 -0.0251 -0.0251 -2.31 -2.31 1.1077 0.4174 -3.12 -1.5369 -1.31 -0.4631 -0.4631 -1.31 -1.5369 2.5826 1.8923 3.0369 2.81 1.9631 8 8 8 8 8 8 5 5 6 7 10 11 6 7 10 11 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 248 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723000040000000000000000000000000000000000300000000000000000010000001E02000000000C0B81984632C083000400880225525000820000210000088800084488482022C09191C42008608600C8C8071080C00E00000200000200000000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-<I>N</I>-(2,6-diethylphenyl)-<I>N</I>-(methoxymethyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloranyl-N-(2,6-diethylphenyl)-N-(methoxymethyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XCSGPAVHZFQHGE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 269.1182566 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H20ClNO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 269.77 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 269.1182566 18 0 0 0 0 0 0 0 1 -1