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Chemical ID: 4150736

Chemical ID:

4150736

Name [?]:

N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)-propanamide

SMILES [?]:

CC(C(=O)Nc1ccc(cc1OC)OC)Oc2ccc(cc2)OC

InChi [?]:

InChI=1/C18H21NO5/c1-12(24-14-7-5-13(21-2)6-8-14)18(20)19-16-10-9-15(22-3)11-17(16)23-4/h5-12H,1-4H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,24,15,13,19,21,18,22,8,7,10,2,20,17,9,6,11,3,5,4,23,14,12,16/E:(5,6)(7,8)/rA:24cCCCONCCCCCCOCOCOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s2;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	7.04928
Area:	550.896
Solvation:	-6.72312
Coulombic:	-50.3365

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	331.363
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.95
LogP (Chemaxon):	2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value