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Chemical ID: 4213264

Chemical ID:

4213264

Name [?]:

N-(2-ethylhexyl)-N'-isopropyl-oxamide

SMILES [?]:

CCCCC(CC)CNC(=O)C(=O)NC(C)C

InChi [?]:

InChI=1/C13H26N2O2/c1-5-7-8-11(6-2)9-14-12(16)13(17)15-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,7,16,17,2,6,3,4,8,15,5,10,12,9,14,11,13/E:(3,4)/rA:17cCCCCCCCCNCOCONCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;d12;s12;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₆N₂O₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	10.9654
Area:	491.887
Solvation:	-1.33176
Coulombic:	-48.9319

Bond Count [?]

All:	16
Single:	14
Double:	2
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	242.358
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.13
LogP (Chemaxon):	2.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value