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Chemical ID: 7296155

COc1ccc(cc1OC)NC(=O)C2CCC(CC2)C(=O)Nc3ccc(c(c3)OC)OC

Chemical ID:

7296155

Name [?]:

N,N'-bis(3,4-dimethoxyphenyl)cyclohexane-1,4-dicarboxamide

SMILES [?]:

COc1ccc(cc1OC)NC(=O)C2CCC(CC2)C(=O)Nc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H30N2O6/c1-29-19-11-9-17(13-21(19)31-3)25-23(27)15-5-7-16(8-6-15)24(28)26-18-10-12-20(30-2)22(14-18)32-4/h9-16H,5-8H2,1-4H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,32,10,30,15,19,16,18,5,24,4,25,7,28,14,17,6,23,3,26,8,27,12,20,11,22,13,21,2,31,9,29/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:32nCOCCCCCCOCNCOCCCCCCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₂O₆
All Atoms:	62
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.29801
Area:	692.373
Solvation:	-10.0113
Coulombic:	-66.7961

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	442.505
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.09
LogP (Chemaxon):	3.11

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