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Chemical ID: 5188466
Chemical ID:
5188466
Name [?]:
N-acetyl-N-(2,6-diethylphenyl)-acetamide
SMILES [?]:
CCc1cccc(c1N(C(=O)C)C(=O)C)CC
InChi [?]:
InChI=1/C14H19NO2/c1-5-12-8-7-9-13(6-2)14(12)15(10(3)16)11(4)17/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,12,15,2,16,5,4,6,10,13,3,7,8,9,11,14/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(16,17)/rA:17nCCCCCCCCNCOCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s9;d13;s13;s7;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58296 |
Area: | 393.353 |
Solvation: | -3.25087 |
Coulombic: | -22.9718 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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