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Chemical ID: 7504725

Chemical ID:

7504725

Name [?]:

N-[4-(2-phenoxyethoxy)phenyl]cyclohexanecarboxamide

SMILES [?]:

c1ccc(cc1)OCCOc2ccc(cc2)NC(=O)C3CCCCC3

InChi [?]:

InChI=1/C21H25NO3/c23-21(17-7-3-1-4-8-17)22-18-11-13-20(14-12-18)25-16-15-24-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2,(H,22,23)

InChi Info:

AuxInfo=1/1/N:23,1,22,24,2,6,21,25,3,5,13,15,12,16,8,9,20,14,4,11,18,17,19,7,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCOCCOCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₃
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.47524
Area:	576.627
Solvation:	-4.94042
Coulombic:	-36.5278

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	339.428
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.56
LogP (Chemaxon):	4.61

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