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Chemical ID: 5499530
Chemical ID:
5499530
Name [?]:
2-(2-methoxy-4-methyl-phenoxy)-N-tert-butyl-acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H21NO3/c1-10-6-7-11(12(8-10)17-5)18-9-13(16)15-14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,9,3,4,7,11,2,5,6,12,15,14,13,8,10/E:(2,3,4)/rA:18nCCCCCCCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.64726 |
Area: | 458.483 |
Solvation: | -5.81481 |
Coulombic: | -34.9357 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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