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Chemical ID: 6377253
Chemical ID:
6377253
Name [?]:
N-(3,4-dimethylphenyl)-3-methyl-butanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CC(C)C
InChi [?]:
InChI=1/C13H19NO/c1-9(2)7-13(15)14-12-6-5-10(3)11(4)8-12/h5-6,8-9H,7H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,8,3,4,12,6,13,2,7,5,10,9,11/E:(1,2)/rA:15nCCCCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.29443 |
Area: | 403.259 |
Solvation: | -1.78705 |
Coulombic: | -20.8612 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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