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Chemical ID: 6354069
Chemical ID:
6354069
Name [?]:
2,2-dimethyl-N-phenyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccccc1
InChi [?]:
InChI=1/C11H15NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,9,13,8,5,2,7,6/E:(1,2,3)(5,6)(7,8)/rA:13nCCCCCONCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21074 |
Area: | 355.128 |
Solvation: | -1.66745 |
Coulombic: | -21.937 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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