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Chemical ID: 5784323
Chemical ID:
5784323
Name [?]:
N'-benzyl-N-(2-ethylhexyl)oxamide
SMILES [?]:
CCCCC(CC)CNC(=O)C(=O)NCc1ccccc1
InChi [?]:
InChI=1/C17H26N2O2/c1-3-5-9-14(4-2)12-18-16(20)17(21)19-13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,19,18,20,4,17,21,8,15,5,16,10,12,9,14,11,13/E:(7,8)(10,11)/rA:21cCCCCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2703 |
Area: | 559.504 |
Solvation: | -1.71726 |
Coulombic: | -50.4774 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 290.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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