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Chemical ID: 6962417

CCOc1ccc(cc1)NC(=O)CCCCCCCC(=O)Nc2ccc(cc2)OCC

Chemical ID:

6962417

Name [?]:

N,N'-bis(4-ethoxyphenyl)nonanediamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)CCCCCCCC(=O)Nc2ccc(cc2)OCC

InChi [?]:

InChI=1/C25H34N2O4/c1-3-30-22-16-12-20(13-17-22)26-24(28)10-8-6-5-7-9-11-25(29)27-21-14-18-23(19-15-21)31-4-2/h12-19H,3-11H2,1-2H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,31,2,30,16,15,17,14,18,13,19,6,8,24,28,5,9,25,27,7,23,4,26,11,20,10,22,12,21,3,29/E:(1,2)(3,4)(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)/gE:(1,2)/rA:31nCCOCCCCCCNCOCCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₄
All Atoms:	65
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8014
Area:	747.019
Solvation:	-5.87409
Coulombic:	-54.9452

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	16
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	426.549
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.1
LogP (Chemaxon):	4.87

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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