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Chemical ID: 7299905
Chemical ID:
7299905
Name [?]:
N-(2-acetamidoethyl)-2,3,4-trimethoxy-benzamide
SMILES [?]:
CC(=O)NCCNC(=O)c1ccc(c(c1OC)OC)OC
InChi [?]:
InChI=1/C14H20N2O5/c1-9(17)15-7-8-16-14(18)10-5-6-11(19-2)13(21-4)12(10)20-3/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,17,19,11,12,5,6,2,10,13,15,14,8,4,7,3,9,20,16,18/rA:21nCCONCCNCOCCCCCCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s14;s18;s13;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O5 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.6602 |
Area: | 512.378 |
Solvation: | -7.14925 |
Coulombic: | -61.8609 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 296.319 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.27 |
LogP (Chemaxon): | -0.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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