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Chemical ID: 7055782

Chemical ID:

7055782

Name [?]:

N-(2-methoxy-5-methyl-phenyl)-2-(4-propoxyphenoxy)-acetamide

SMILES [?]:

CCCOc1ccc(cc1)OCC(=O)Nc2cc(ccc2OC)C

InChi [?]:

InChI=1/C19H23NO4/c1-4-11-23-15-6-8-16(9-7-15)24-13-19(21)20-17-12-14(2)5-10-18(17)22-3/h5-10,12H,4,11,13H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,23,2,19,6,10,7,9,20,3,17,12,18,5,8,16,21,13,15,14,22,4,11/E:(6,7)(8,9)/rA:24nCCCOCCCCCCOCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₄
All Atoms:	47
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.31692
Area:	570.99
Solvation:	-5.95784
Coulombic:	-43.534

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	329.39
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.72
LogP (Chemaxon):	3.65

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