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Chemical ID: 3842031

Chemical ID:

3842031

Name [?]:

N-(2,6-diethylphenyl)-2-(2-ethoxy-4-formyl-phenoxy)-acetamide

SMILES [?]:

CCc1cccc(c1NC(=O)COc2ccc(cc2OCC)C=O)CC

InChi [?]:

InChI=1/C21H25NO4/c1-4-16-8-7-9-17(5-2)21(16)22-20(24)14-26-18-11-10-15(13-23)12-19(18)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,26,22,2,25,21,5,4,6,16,15,18,23,12,17,3,7,14,19,10,8,9,24,11,20,13/E:(1,2)(4,5)(8,9)(16,17)/rA:26nCCCCCCCCNCOCOCCCCCCOCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s17;d23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅NO₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	7.23279
Area:	603.161
Solvation:	-7.84623
Coulombic:	-41.4468

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	355.428
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.82
LogP (Chemaxon):	3.07

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