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Chemical ID: 4536686
Chemical ID:
4536686
Name [?]:
3-methyl-N-phenyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C11H15NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,9,13,4,2,8,5,7,6/E:(1,2)(4,5)(6,7)/rA:13nCCCCCONCCCCCC/rB:s1;s2;s2;s4;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: | 7.27269 |
Area: | 360.725 |
Solvation: | -1.74544 |
Coulombic: | -21.346 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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