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Chemical ID: 4671570
Chemical ID:
4671570
Name [?]:
N-acetyl-N-(2-tert-butylphenyl)-acetamide
SMILES [?]:
CC(=O)N(c1ccccc1C(C)(C)C)C(=O)C
InChi [?]:
InChI=1/C14H19NO2/c1-10(16)15(11(2)17)13-9-7-6-8-12(13)14(3,4)5/h6-9H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,12,13,14,8,7,9,6,2,15,10,5,11,4,3,16/E:(1,2)(3,4,5)(10,11)(16,17)/rA:17nCCONCCCCCCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s11;s11;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30446 |
Area: | 382.443 |
Solvation: | -3.2566 |
Coulombic: | -23.2497 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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