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Chemical ID: 5503385

Chemical ID:

5503385

Name [?]:

N-(2-methoxyethyl)-2-(4-methylphenoxy)-propanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C13H19NO3/c1-10-4-6-12(7-5-10)17-11(2)13(15)14-8-9-16-3/h4-7,11H,8-9H2,1-3H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,10,17,3,7,4,6,14,15,2,9,5,11,13,12,16,8/E:(4,5)(6,7)/rA:17cCCCCCCCOCCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉NO₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	6.57609
Area:	455.479
Solvation:	-4.81087
Coulombic:	-37.243

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	237.295
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.88
LogP (Chemaxon):	1.56

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