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Chemical ID: 5646232
Chemical ID:
5646232
Name [?]:
N-(4-ethylphenyl)-3,5-dimethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cc(cc(c2)C)C
InChi [?]:
InChI=1/C17H19NO/c1-4-14-5-7-16(8-6-14)18-17(19)15-10-12(2)9-13(3)11-15/h5-11H,4H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,4,8,5,7,15,17,13,16,14,3,12,6,10,9,11/E:(2,3)(5,6)(7,8)(10,11)(12,13)/rA:19nCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0432 |
Area: | 469.284 |
Solvation: | -1.68893 |
Coulombic: | -23.68 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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