Chemical ID: 4812643

CCCCOC(=O)N1CCOCCN(CCOCCOCC1)C(=O)OCCCC
Chemical ID:
4812643
Name [?]:
dibutyl 1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxylate
SMILES [?]:
CCCCOC(=O)N1CCOCCN(CCOCCOCC1)C(=O)OCCCC
InChi [?]:
InChI=1/C20H38N2O7/c1-3-5-11-28-19(23)21-7-13-25-14-8-22(20(24)29-12-6-4-2)10-16-27-18-17-26-15-9-21/h3-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,28,3,27,9,13,22,15,4,26,10,12,21,16,19,18,6,23,8,14,7,24,11,20,17,5,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)(28,29)/rA:29nCCCCOCONCCOCCNCCOCCOCCCOOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s8s21;s14;d23;s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H38N2O7
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2457
Area:666.654
Solvation:-5.4207
Coulombic:-85.1572
Bond Count [?]
All:29
Single:27
Double:2
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.525
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:1.76
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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