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Chemical ID: 4457083

Chemical ID:

4457083

Name [?]:

N-cyclohexyl-4-[(4-ethylphenoxy)methyl]benzamide

SMILES [?]:

CCc1ccc(cc1)OCc2ccc(cc2)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C22H27NO2/c1-2-17-10-14-21(15-11-17)25-16-18-8-12-19(13-9-18)22(24)23-20-6-4-3-5-7-20/h8-15,20H,2-7,16H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,2,23,22,24,21,25,12,16,4,8,13,15,5,7,10,3,11,14,20,6,17,19,18,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCCCCCOCCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇NO₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7062
Area:	589.896
Solvation:	-3.04117
Coulombic:	-32.7596

Bond Count [?]

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

Chemical Properties

Molecular Weight:	337.455
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.78
LogP (Chemaxon):	4.92

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