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Chemical ID: 7475048

Cc1ccc(cc1)OC(C)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)C(C)Oc4ccc(cc4)C

Chemical ID:

7475048

Name [?]:

2-(4-methylphenoxy)-N-[4-[4-[2-(4-methylphenoxy)propanoylamino]phenoxy]phenyl]-propanamide

SMILES [?]:

Cc1ccc(cc1)OC(C)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)C(C)Oc4ccc(cc4)C

InChi [?]:

InChI=1/C32H32N2O5/c1-21-5-13-27(14-6-21)37-23(3)31(35)33-25-9-17-29(18-10-25)39-30-19-11-26(12-20-30)34-32(36)24(4)38-28-15-7-22(2)8-16-28/h5-20,23-24H,1-4H3,(H,33,35)(H,34,36)

InChi Info:

AuxInfo=1/1/N:1,39,10,31,3,7,35,37,15,19,23,25,4,6,34,38,16,18,22,26,2,36,9,30,14,24,5,33,17,21,11,28,13,27,12,29,8,32,20/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)(33,34)(35,36)(37,38)/gE:(1,2)/rA:39cCCCCCCCOCCCONCCCCCCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;s24;s27;d28;s28;s30;s30;s32;s33;d34;s35;d36;d33s37;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₂H₃₂N₂O₅
All Atoms:	71
Heavy Atoms:	39
Chiral Atoms:	2

ZAP Information [?]

Total:	13.2171
Area:	823.742
Solvation:	-7.37648
Coulombic:	-66.4227

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	524.607
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.31
LogP (Chemaxon):	7.14

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