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Chemical ID: 7056013

Chemical ID:

7056013

Name [?]:

N-(2,4-dimethylphenyl)-2-[4-(2-ethoxyethoxy)phenoxy]-acetamide

SMILES [?]:

CCOCCOc1ccc(cc1)OCC(=O)Nc2ccc(cc2C)C

InChi [?]:

InChI=1/C20H25NO4/c1-4-23-11-12-24-17-6-8-18(9-7-17)25-14-20(22)21-19-10-5-15(2)13-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,24,2,20,8,12,9,11,19,4,5,22,14,21,23,7,10,18,15,17,16,3,6,13/E:(6,7)(8,9)/rA:25nCCOCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₄
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.86647
Area:	603.473
Solvation:	-7.22034
Coulombic:	-42.5005

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	343.417
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.49
LogP (Chemaxon):	3.09

Name Annotations

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Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value