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Chemical ID: 6526136

Cc1cccc(c1)CNC(=O)CCCCC(=O)NCc2cccc(c2)C

Chemical ID:

6526136

Name [?]:

N,N'-bis(m-tolylmethyl)hexanediamide

SMILES [?]:

Cc1cccc(c1)CNC(=O)CCCCC(=O)NCc2cccc(c2)C

InChi [?]:

InChI=1/C22H28N2O2/c1-17-7-5-9-19(13-17)15-23-21(25)11-3-4-12-22(26)24-16-20-10-6-8-18(2)14-20/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,23,25)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,26,13,14,4,22,3,23,5,21,12,15,7,25,8,19,2,24,6,20,10,16,9,18,11,17/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)/gE:(1,2)/rA:26nCCCCCCCCNCOCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7994
Area:	645.008
Solvation:	-3.32581
Coulombic:	-43.2531

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	352.47
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	3.67

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