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Chemical ID: 7300540
Chemical ID:
7300540
Name [?]:
N-(2-acetamidoethyl)-2,4-dimethoxy-benzamide
SMILES [?]:
CC(=O)NCCNC(=O)c1ccc(cc1OC)OC
InChi [?]:
InChI=1/C13H18N2O4/c1-9(16)14-6-7-15-13(17)11-5-4-10(18-2)8-12(11)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,17,12,11,5,6,14,2,13,10,15,8,4,7,3,9,18,16/rA:19nCCONCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.91787 |
Area: | 480.756 |
Solvation: | -6.10103 |
Coulombic: | -53.736 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 266.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.76 |
LogP (Chemaxon): | -0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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