Chemical ID: 6365157

COc1ccc(cc1OC)CC(=O)NCC=C
Chemical ID:
6365157
Name [?]:
N-allyl-2-(3,4-dimethoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1OC)CC(=O)NCC=C
InChi [?]:
InChI=1/C13H17NO3/c1-4-7-14-13(15)9-10-5-6-11(16-2)12(8-10)17-3/h4-6,8H,1,7,9H2,2-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:17,1,10,16,5,4,15,7,11,6,3,8,12,14,13,2,9/rA:17nCOCCCCCCOCCCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.51231
Area:445.097
Solvation:-5.61511
Coulombic:-35.4788
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.42
LogP (Chemaxon):1.29

Name Annotations

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Descriptor Annotations

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