ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7477359

Chemical ID:

7477359

Name [?]:

2-(3-methylphenoxy)-N-(p-tolyl)propanamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C

InChi [?]:

InChI=1/C17H19NO2/c1-12-7-9-15(10-8-12)18-17(19)14(3)20-16-6-4-5-13(2)11-16/h4-11,14H,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,20,12,16,17,15,3,7,4,6,19,2,18,11,5,14,9,8,10,13/E:(7,8)(9,10)/rA:20cCCCCCCCNCOCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₂
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.64799
Area:	485.556
Solvation:	-3.4909
Coulombic:	-30.2172

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	269.338
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.07
LogP (Chemaxon):	4.35

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