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Chemical ID: 7491521
Chemical ID:
7491521
Name [?]:
2-(2,5-dimethylphenoxy)propanamide
SMILES [?]:
Cc1ccc(c(c1)OC(C)C(=O)N)C
InChi [?]:
InChI=1/C11H15NO2/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,14,10,3,4,7,2,5,9,6,11,13,12,8/rA:14cCCCCCCCOCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.94517 |
Area: | 372.517 |
Solvation: | -3.36776 |
Coulombic: | -33.4299 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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