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Chemical ID: 6490235

CCOc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccccc2OCC

Chemical ID:

6490235

Name [?]:

N,N'-bis[(2-ethoxyphenyl)methyleneamino]decanediamide

SMILES [?]:

CCOc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccccc2OCC

InChi [?]:

InChI=1/C28H38N4O4/c1-3-35-25-17-13-11-15-23(25)21-29-31-27(33)19-9-7-5-6-8-10-20-28(34)32-30-22-24-16-12-14-18-26(24)36-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,36,2,35,18,19,17,20,16,21,7,30,6,31,8,29,5,32,15,22,10,27,9,28,4,33,13,23,11,26,12,25,14,24,3,34/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)/gE:(1,2)/rA:36nCCOCCCCCCCNNCOCCCCCCCCCONNCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;w26;s27;s28;d29;s30;d31;d28s32;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₈N₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4544
Area:	856.178
Solvation:	-7.95002
Coulombic:	-52.284

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	19
Chiral:	2
Rigid Segments:	12

Chemical Properties

Molecular Weight:	494.626
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	7.67
LogP (Chemaxon):	5.54

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value