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Chemical ID: 4156563

Chemical ID:

4156563

Name [?]:

N-(3,4-dimethoxyphenyl)-4-(4-ethylphenoxy)-butanamide

SMILES [?]:

CCc1ccc(cc1)OCCCC(=O)Nc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C20H25NO4/c1-4-15-7-10-17(11-8-15)25-13-5-6-20(22)21-16-9-12-18(23-2)19(14-16)24-3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,23,2,11,12,4,8,17,5,7,18,10,21,3,16,6,19,20,13,15,14,24,22,9/E:(7,8)(10,11)/rA:25nCCCCCCCCOCCCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.93424
Area:	597.784
Solvation:	-7.01037
Coulombic:	-41.1964

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	343.417
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.65
LogP (Chemaxon):	3.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

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