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Chemical ID: 6364140
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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