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Chemical ID: 4639616
Chemical ID:
4639616
Name [?]:
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)NC(C)c1cc(ccc1OC)OC
InChi [?]:
InChI=1/C15H23NO3/c1-10(2)8-15(17)16-11(3)13-9-12(18-4)6-7-14(13)19-5/h6-7,9-11H,8H2,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,9,19,17,13,14,4,11,2,8,12,10,15,5,7,6,18,16/E:(1,2)/rA:19cCCCCCONCCCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;s15;s16;s12;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.65679 |
Area: | 479.861 |
Solvation: | -4.33973 |
Coulombic: | -35.2184 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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