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Chemical ID: 4671579
Chemical ID:
4671579
Name [?]:
N-(2,6-ditert-butylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1c(cccc1C(C)(C)C)C(C)(C)C
InChi [?]:
InChI=1/C16H25NO/c1-11(18)17-14-12(15(2,3)4)9-8-10-13(14)16(5,6)7/h8-10H,1-7H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,16,17,18,8,9,7,2,10,6,5,11,15,4,3/E:(2,3,4,5,6,7)(9,10)(12,13)(15,16)/rA:18nCCONCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s11;s11;s6;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69012 |
Area: | 402.569 |
Solvation: | -1.3741 |
Coulombic: | -21.6667 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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