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Chemical ID: 4587338
Chemical ID:
4587338
Name [?]:
ethyl 2-[6-(ethoxycarbonylmethylcarbamoyl)hexanoylamino]acetate
SMILES [?]:
CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC
InChi [?]:
InChI=1/C15H26N2O6/c1-3-22-14(20)10-16-12(18)8-6-5-7-9-13(19)17-11-15(21)23-4-2/h3-11H2,1-2H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,23,2,22,12,11,13,10,14,6,18,8,15,4,19,7,17,9,16,5,20,3,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)/gE:(1,2)/rA:23nCCOCOCNCOCCCCCCONCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;s18;d19;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N2O6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9883 |
Area: | 629.982 |
Solvation: | -4.76126 |
Coulombic: | -77.5481 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 330.377 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.41 |
LogP (Chemaxon): | -0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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