ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4285921

Chemical ID:

4285921

Name [?]:

N-(2,6-dimethylphenyl)-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

Cc1cccc(c1NC(=O)COc2ccc(cc2)OC)C

InChi [?]:

InChI=1/C17H19NO3/c1-12-5-4-6-13(2)17(12)18-16(19)11-21-15-9-7-14(20-3)8-10-15/h4-10H,11H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,21,20,4,3,5,15,17,14,18,11,2,6,16,13,9,7,8,10,19,12/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:21nCCCCCCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.9289
Area:	493.876
Solvation:	-5.41799
Coulombic:	-34.9819

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	285.338
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.04
LogP (Chemaxon):	2.26

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