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Chemical ID: 4585174
Chemical ID:
4585174
Name [?]:
ethyl 2-[8-(ethoxycarbonylmethylcarbamoyl)octanoylamino]acetate
SMILES [?]:
CCOC(=O)CNC(=O)CCCCCCCC(=O)NCC(=O)OCC
InChi [?]:
InChI=1/C17H30N2O6/c1-3-24-16(22)12-18-14(20)10-8-6-5-7-9-11-15(21)19-13-17(23)25-4-2/h3-13H2,1-2H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,13,12,14,11,15,10,16,6,20,8,17,4,21,7,19,9,18,5,22,3,23/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCCOCOCNCOCCCCCCCCONCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30N2O6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3005 |
Area: | 679.588 |
Solvation: | -4.68914 |
Coulombic: | -78.2232 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 358.43 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.55 |
LogP (Chemaxon): | 0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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