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Chemical ID: 4181486

Chemical ID:

4181486

Name [?]:

N-(m-tolyl)-2-phenoxy-acetamide

SMILES [?]:

Cc1cccc(c1)NC(=O)COc2ccccc2

InChi [?]:

InChI=1/C15H15NO2/c1-12-6-5-7-13(10-12)16-15(17)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,16,17)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₅H₁₅NO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.12068
Area:	443.41
Solvation:	-3.96458
Coulombic:	-29.2621

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	241.285
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.11
LogP (Chemaxon):	3.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value