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Chemical ID: 4308348

Chemical ID:

4308348

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C17H19NO5/c1-20-13-5-7-14(8-6-13)23-11-17(19)18-12-4-9-15(21-2)16(10-12)22-3/h4-10H,11H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,23,21,15,4,8,5,7,16,19,10,14,3,6,17,18,11,13,12,2,22,20,9/E:(5,6)(7,8)/rA:23nCOCCCCCCOCCONCCCCCCOCOC/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:	C₁₇H₁₉NO₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	4.70646
Area:	533.741
Solvation:	-8.63707
Coulombic:	-47.7778

Bond Count [?]

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

Chemical Properties

Molecular Weight:	317.336
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.15
LogP (Chemaxon):	2.12

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