ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4224124

Chemical ID:

4224124

Name [?]:

N-(2,5-dimethoxyphenyl)-2-(4-methylphenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1)OCC(=O)Nc2cc(ccc2OC)OC

InChi [?]:

InChI=1/C17H19NO4/c1-12-4-6-13(7-5-12)22-11-17(19)18-15-10-14(20-2)8-9-16(15)21-3/h4-10H,11H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,22,20,3,7,4,6,16,17,14,9,2,5,15,13,18,10,12,11,21,19,8/E:(4,5)(6,7)/rA:22nCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.55257
Area:	517.616
Solvation:	-6.38783
Coulombic:	-42.413

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	301.337
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.94
LogP (Chemaxon):	2.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value