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Chemical ID: 5246412
Chemical ID:
5246412
Name [?]:
N-(2-tert-butylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccccc1C(C)(C)C
InChi [?]:
InChI=1/C12H17NO/c1-9(14)13-11-8-6-5-7-10(11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,8,7,9,6,2,10,5,11,4,3/E:(2,3,4)/rA:14nCCONCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3725 |
Area: | 361.677 |
Solvation: | -1.66943 |
Coulombic: | -21.1131 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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