Chemical ID: 4585174

CCOC(=O)CNC(=O)CCCCCCCC(=O)NCC(=O)OCC
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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Descriptor Annotations

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