Chemical ID: 4441004

Cc1cc(c(c(c1)OCC(=O)NCC=C)C)C
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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