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Chemical ID: 7038836
Chemical ID:
7038836
Name [?]:
N-[acetamido-(3,4,5-trimethoxyphenyl)-methyl]acetamide
SMILES [?]:
CC(=O)NC(c1cc(c(c(c1)OC)OC)OC)NC(=O)C
InChi [?]:
InChI=1/C14H20N2O5/c1-8(17)15-14(16-9(2)18)10-6-11(19-3)13(21-5)12(7-10)20-4/h6-7,14H,1-5H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,13,17,15,11,7,2,19,6,10,8,9,5,4,18,3,20,12,16,14/E:(1,2)(3,4)(6,7)(8,9)(11,12)(15,16)(17,18)(19,20)/gE:(1,2)/rA:21nCCONCCCCCCCOCOCOCNCOC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s9;s14;s8;s16;s5;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O5 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.02008 |
Area: | 492.132 |
Solvation: | -8.28322 |
Coulombic: | -59.0609 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 296.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.5 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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