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Chemical ID: 4198061

Chemical ID:

4198061

Name [?]:

N'-(2-methoxyethyl)-N-(p-tolylmethyl)oxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C(=O)NCCOC

InChi [?]:

InChI=1/C13H18N2O3/c1-10-3-5-11(6-4-10)9-15-13(17)12(16)14-7-8-18-2/h3-6H,7-9H2,1-2H3,(H,14,16)(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,18,3,7,4,6,15,16,8,2,5,12,10,14,9,13,11,17/E:(3,4)(5,6)/rA:18nCCCCCCCCNCOCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s12;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.57571
Area:	481.266
Solvation:	-3.45594
Coulombic:	-55.4211

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	250.294
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.85
LogP (Chemaxon):	0.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value