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Chemical ID: 4441004
Chemical ID:
4441004
Name [?]:
N-allyl-2-(2,3,5-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)OCC(=O)NCC=C)C)C
InChi [?]:
InChI=1/C14H19NO2/c1-5-6-15-14(16)9-17-13-8-10(2)7-11(3)12(13)4/h5,7-8H,1,6,9H2,2-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:15,1,17,16,14,13,3,7,9,2,4,5,6,10,12,11,8/rA:17nCCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s5;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74679 |
Area: | 452.984 |
Solvation: | -3.57782 |
Coulombic: | -30.1329 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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