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Chemical ID: 6663549
Chemical ID:
6663549
Name [?]:
N-(4-tert-butoxyphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)OC(C)(C)C
InChi [?]:
InChI=1/C12H17NO2/c1-9(14)13-10-5-7-11(8-6-10)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,14,15,6,10,7,9,2,5,8,12,4,3,11/E:(2,3,4)(5,6)(7,8)/rA:15nCCONCCCCCCOCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.70612 |
Area: | 385.736 |
Solvation: | -2.93727 |
Coulombic: | -26.8815 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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