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Chemical ID: 5136581
Chemical ID:
5136581
Name [?]:
N-[acetamido-(3,5-dimethoxyphenyl)-methyl]acetamide
SMILES [?]:
CC(=O)NC(c1cc(cc(c1)OC)OC)NC(=O)C
InChi [?]:
InChI=1/C13H18N2O4/c1-8(16)14-13(15-9(2)17)10-5-11(18-3)7-12(6-10)19-4/h5-7,13H,1-4H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,13,15,11,7,9,2,17,6,10,8,5,4,16,3,18,12,14/E:(1,2)(3,4)(5,6)(8,9)(11,12)(14,15)(16,17)(18,19)/gE:(1,2)/rA:19nCCONCCCCCCCOCOCNCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s8;s14;s5;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.4112 |
Area: | 464.947 |
Solvation: | -6.21247 |
Coulombic: | -51.9308 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 266.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.99 |
LogP (Chemaxon): | -0.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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