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Chemical ID: 6335271

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

Chemical ID:

6335271

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C28H40N2O4/c1-3-33-25-19-15-23(16-20-25)29-27(31)13-11-9-7-5-6-8-10-12-14-28(32)30-24-17-21-26(22-18-24)34-4-2/h15-22H,3-14H2,1-2H3,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,34,2,33,17,18,16,19,15,20,14,21,13,22,6,8,27,31,5,9,28,30,7,26,4,29,11,23,10,25,12,24,3,32/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)/gE:(1,2)/rA:34nCCOCCCCCCNCOCCCCCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₄₀N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8842
Area:	828.835
Solvation:	-5.83669
Coulombic:	-55.9091

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	19
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	468.628
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.81
LogP (Chemaxon):	6.05

Name Annotations

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

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