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Chemical ID: 6377882
Chemical ID:
6377882
Name [?]:
3,4-dimethyl-N-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C13H19NO/c1-9-6-7-11(8-10(9)2)12(15)14-13(3,4)5/h6-8H,1-5H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,13,14,15,3,4,6,2,7,5,9,12,11,10/E:(3,4,5)/rA:15nCCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64851 |
Area: | 397.907 |
Solvation: | -1.29915 |
Coulombic: | -23.1991 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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