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Chemical ID: 6990198

Chemical ID:

6990198

Name [?]:

N-ethyl-N-phenyl-2-(4-phenylphenoxy)-acetamide

SMILES [?]:

CCN(c1ccccc1)C(=O)COc2ccc(cc2)c3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,2,23,7,22,24,6,8,21,25,5,9,16,18,15,19,12,20,17,4,14,10,3,11,13/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:25nCCNCCCCCCCOCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.65687
Area:	564.754
Solvation:	-4.46199
Coulombic:	-26.5116

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.408
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.18
LogP (Chemaxon):	4.67

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