ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7531582

Chemical ID:

7531582

Name [?]:

2-(3-methylphenoxy)-N-(1-phenylethyl)propanamide

SMILES [?]:

Cc1cccc(c1)OC(C)C(=O)NC(C)c2ccccc2

InChi [?]:

InChI=1/C18H21NO2/c1-13-8-7-11-17(12-13)21-15(3)18(20)19-14(2)16-9-5-4-6-10-16/h4-12,14-15H,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,15,10,19,18,20,4,3,17,21,5,7,2,14,9,16,6,11,13,12,8/E:(5,6)(9,10)/rA:21cCCCCCCCOCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s9;d11;s11;s13;s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁NO₂
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	9.32377
Area:	511.718
Solvation:	-3.46918
Coulombic:	-31.8924

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.31
LogP (Chemaxon):	None

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