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Chemical ID: 4198510

Chemical ID:

4198510

Name [?]:

N-(3,4-dimethoxyphenyl)-2-(4-ethylphenoxy)-acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C18H21NO4/c1-4-13-5-8-15(9-6-13)23-12-18(20)19-14-7-10-16(21-2)17(11-14)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,23,21,2,4,8,15,5,7,16,19,10,3,14,6,17,18,11,13,12,22,20,9/E:(5,6)(8,9)/rA:23nCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	6.31065
Area:	544.612
Solvation:	-7.30464
Coulombic:	-41.8942

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	315.364
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.14
LogP (Chemaxon):	3.23

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