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Chemical ID: 4151431

Chemical ID:

4151431

Name [?]:

N-cyclohexyl-2-[4-(p-tolyl)phenoxy]-acetamide

SMILES [?]:

Cc1ccc(cc1)c2ccc(cc2)OCC(=O)NC3CCCCC3

InChi [?]:

InChI=1/C21H25NO2/c1-16-7-9-17(10-8-16)18-11-13-20(14-12-18)24-15-21(23)22-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,3,7,4,6,9,13,10,12,15,2,5,8,19,11,16,18,17,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCCCCCCCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.0471
Area:	561.129
Solvation:	-3.98115
Coulombic:	-30.9342

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.429
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.31
LogP (Chemaxon):	4.45

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