Chemical ID: 6364140

COc1cccc(c1C(=O)NCC=C)OC
Chemical ID:
6364140
Name [?]:
N-allyl-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)NCC=C)OC
InChi [?]:
InChI=1/C12H15NO3/c1-4-8-13-12(14)11-9(15-2)6-5-7-10(11)16-3/h4-7H,1,8H2,2-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:14,1,16,13,5,4,6,12,3,7,8,9,11,10,2,15/E:(2,3)(6,7)(9,10)(15,16)/rA:16nCOCCCCCCCONCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s7;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.8339
Area:417.563
Solvation:-4.60516
Coulombic:-37.4532
Bond Count [?]
All:16
Single:11
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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