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Chemical ID: 4146242

Chemical ID:

4146242

Name [?]:

2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)-acetamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)COc2cc(cc(c2)C)C

InChi [?]:

InChI=1/C18H21NO2/c1-4-15-5-7-16(8-6-15)19-18(20)12-21-17-10-13(2)9-14(3)11-17/h5-11H,4,12H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,20,21,2,4,8,5,7,17,19,15,12,18,16,3,6,14,10,9,11,13/E:(2,3)(5,6)(7,8)(10,11)(13,14)/rA:21nCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.93856
Area:	514.593
Solvation:	-3.92627
Coulombic:	-29.1979

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	283.365
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.45
LogP (Chemaxon):	4.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value