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Chemical ID: 6641807
Chemical ID:
6641807
Name [?]:
N,N'-bis(3-methoxypropyl)propanediamide
SMILES [?]:
COCCCNC(=O)CC(=O)NCCCOC
InChi [?]:
InChI=1/C11H22N2O4/c1-16-7-3-5-12-10(14)9-11(15)13-6-4-8-17-2/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,17,4,14,5,13,3,15,9,7,10,6,12,8,11,2,16/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)/gE:(1,2)/rA:17nCOCCCNCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s10;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.32829 |
Area: | 497.056 |
Solvation: | -7.0981 |
Coulombic: | -52.5926 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 246.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.38 |
LogP (Chemaxon): | -1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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