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Chemical ID: 6546856

Chemical ID:

6546856

Name [?]:

2-[4-(3-methylphenoxy)phenoxy]-N-phenyl-acetamide

SMILES [?]:

Cc1cccc(c1)Oc2ccc(cc2)OCC(=O)Nc3ccccc3

InChi [?]:

InChI=1/C21H19NO3/c1-16-6-5-9-20(14-16)25-19-12-10-18(11-13-19)24-15-21(23)22-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,23,22,24,4,3,21,25,5,11,13,10,14,7,16,2,20,12,9,6,17,19,18,15,8/E:(3,4)(7,8)(10,11)(12,13)/rA:25nCCCCCCCOCCCCCCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉NO₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.0978
Area:	561.779
Solvation:	-4.94666
Coulombic:	-37.1491

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	333.38
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.59
LogP (Chemaxon):	4.77

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