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Chemical ID: 7474126

Chemical ID:

7474126

Name [?]:

N-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1NC(=O)COc2ccc(cc2)c3ccccc3)C

InChi [?]:

InChI=1/C22H21NO2/c1-16-7-6-8-17(2)22(16)23-21(24)15-25-20-13-11-19(12-14-20)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,25,22,21,23,4,3,5,20,24,15,17,14,18,11,2,6,19,16,13,9,7,8,10,12/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(16,17)/rA:25nCCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁NO₂
All Atoms:	46
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.51201
Area:	560.211
Solvation:	-4.49327
Coulombic:	-30.3092

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	331.408
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.07
LogP (Chemaxon):	4.19

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