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Chemical ID: 5507725
Chemical ID:
5507725
Name [?]:
N-methyl-2-(4-methylphenoxy)-propanamide
SMILES [?]:
Cc1ccc(cc1)OC(C)C(=O)NC
InChi [?]:
InChI=1/C11H15NO2/c1-8-4-6-10(7-5-8)14-9(2)11(13)12-3/h4-7,9H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,14,3,7,4,6,2,9,5,11,13,12,8/E:(4,5)(6,7)/rA:14cCCCCCCCOCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.30959 |
Area: | 383.07 |
Solvation: | -3.26715 |
Coulombic: | -29.6535 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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