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Chemical ID: 5773396
Chemical ID:
5773396
Name [?]:
N,N-diallyl-2,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(CC=C)CC=C
InChi [?]:
InChI=1/C15H19NO3/c1-5-9-16(10-6-2)15(17)13-8-7-12(18-3)11-14(13)19-4/h5-8,11H,1-2,9-10H2,3-4H3
InChi Info:
AuxInfo=1/0/N:16,19,1,10,15,18,4,5,14,17,8,3,6,7,11,13,12,2,9/E:(1,2)(5,6)(9,10)/rA:19nCOCCCCCCOCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;d15;s13;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18332 |
Area: | 471.723 |
Solvation: | -4.60976 |
Coulombic: | -34.1715 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 261.316 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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