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Chemical ID: 6984956

Chemical ID:

6984956

Name [?]:

2-(4-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)-acetamide

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)COc2ccc(cc2)OC)C

InChi [?]:

InChI=1/C18H21NO3/c1-12-9-13(2)18(14(3)10-12)19-17(20)11-22-16-7-5-15(21-4)6-8-16/h5-10H,11H2,1-4H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,8,22,21,16,18,15,19,7,3,12,2,6,4,17,14,10,5,9,11,20,13/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:22nCCCCCCCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₃
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.52949
Area:	515.112
Solvation:	-5.34831
Coulombic:	-34.7823

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	299.364
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.48
LogP (Chemaxon):	2.72

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