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Chemical ID: 7477720

Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2)NC(=O)COc3ccc(c(c3)C)C

Chemical ID:

7477720

Name [?]:

2-(3,4-dimethylphenoxy)-N-[4-[2-(3,4-dimethylphenoxy)acetyl]aminophenyl]-acetamide

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)Nc2ccc(cc2)NC(=O)COc3ccc(c(c3)C)C

InChi [?]:

InChI=1/C26H28N2O4/c1-17-5-11-23(13-19(17)3)31-15-25(29)27-21-7-9-22(10-8-21)28-26(30)16-32-24-12-6-18(2)20(4)14-24/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,32,8,31,3,27,15,19,16,18,4,26,6,30,10,23,2,28,7,29,14,17,5,25,11,21,13,20,12,22,9,24/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:32nCCCCCCCCOCCONCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₄
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2605
Area:	709.468
Solvation:	-7.47618
Coulombic:	-55.4224

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	432.512
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.65
LogP (Chemaxon):	5.57

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

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Chemical Mix	Source	External ID	Descriptor	Value