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Chemical ID: 6850582

CCc1cccc(c1NC(=O)C(C)Oc2ccc(cc2)c3ccccc3)C

Chemical ID:

6850582

Name [?]:

N-(2-ethyl-6-methyl-phenyl)-2-(4-phenylphenoxy)-propanamide

SMILES [?]:

CCc1cccc(c1NC(=O)C(C)Oc2ccc(cc2)c3ccccc3)C

InChi [?]:

InChI=1/C24H25NO2/c1-4-19-12-8-9-17(2)23(19)25-24(26)18(3)27-22-15-13-21(14-16-22)20-10-6-5-7-11-20/h5-16,18H,4H2,1-3H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,27,13,2,24,23,25,5,6,22,26,4,17,19,16,20,7,12,3,21,18,15,8,10,9,11,14/E:(6,7)(10,11)(13,14)(15,16)/rA:27cCCCCCCCCNCOCCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅NO₂
All Atoms:	52
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7511
Area:	588.551
Solvation:	-3.96264
Coulombic:	-31.9042

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	359.461
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.06
LogP (Chemaxon):	5.13

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value