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DE3

Summary
Name:N,N-diethyl-3-methylbenzamide
Formula:C12 H17 N O
Formal charge:0
Formula weight:191.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N-diethyl-3-methylbenzamide
OpenEye OEToolkits1.7.0N,N-diethyl-3-methyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N(CC)CC)c1cccc(c1)C
SMILES_CANONICALCACTVS3.370CCN(CC)C(=O)c1cccc(C)c1
SMILESCACTVS3.370CCN(CC)C(=O)c1cccc(C)c1
SMILES_CANONICALOpenEye OEToolkits1.7.0CCN(CC)C(=O)c1cccc(c1)C
SMILESOpenEye OEToolkits1.7.0CCN(CC)C(=O)c1cccc(c1)C
InChIInChI1.03InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKeyInChI1.03MMOXZBCLCQITDF-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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