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Chemical ID: 4927789
Chemical ID:
4927789
Name [?]:
N-[2-(3,5-dimethoxyphenyl)-1-methyl-ethyl]acetamide
SMILES [?]:
CC(Cc1cc(cc(c1)OC)OC)NC(=O)C
InChi [?]:
InChI=1/C13H19NO3/c1-9(14-10(2)15)5-11-6-12(16-3)8-13(7-11)17-4/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,11,13,3,9,5,7,2,15,4,8,6,14,16,10,12/E:(3,4)(6,7)(12,13)(16,17)/rA:17cCCCCCCCCCOCOCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s6;s12;s2;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.27844 |
Area: | 435.914 |
Solvation: | -4.61942 |
Coulombic: | -33.6992 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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