Chemical ID: 4587338

CCOC(=O)CNC(=O)CCCCCC(=O)NCC(=O)OCC
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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