ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7514280

Chemical ID:

7514280

Name [?]:

2-(2,3-dimethylphenoxy)-N-isobutyl-acetamide

SMILES [?]:

Cc1cccc(c1C)OCC(=O)NCC(C)C

InChi [?]:

InChI=1/C14H21NO2/c1-10(2)8-15-14(16)9-17-13-7-5-6-11(3)12(13)4/h5-7,10H,8-9H2,1-4H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:16,17,1,8,4,3,5,14,10,15,2,7,6,11,13,12,9/E:(1,2)/rA:17nCCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;d11;s11;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₂
All Atoms:	38
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.76708
Area:	453.324
Solvation:	-3.56603
Coulombic:	-29.4298

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.85
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

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

Chemical Mix	Source	External ID	Descriptor	Value