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Chemical ID: 6365157
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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Experimental Annotations
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Descriptor Annotations
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