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Chemical ID: 5498537

Chemical ID:

5498537

Name [?]:

N-(3-methoxypropyl)-2-(4-methylphenoxy)-propanamide

SMILES [?]:

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

InChi [?]:

InChI=1/C14H21NO3/c1-11-5-7-13(8-6-11)18-12(2)14(16)15-9-4-10-17-3/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,10,18,15,3,7,4,6,14,16,2,9,5,11,13,12,17,8/E:(5,6)(7,8)/rA:18cCCCCCCCOCCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₃
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	1

ZAP Information [?]

Total:	7.28324
Area:	484.684
Solvation:	-4.83385
Coulombic:	-37.3168

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	251.321
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.24
LogP (Chemaxon):	1.61

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