Chemical ID: 4146946

Cc1ccccc1OCC(=O)NCC(C)C
Chemical ID:
4146946
Name [?]:
N-isobutyl-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NCC(C)C
InChi [?]:
InChI=1/C13H19NO2/c1-10(2)8-14-13(15)9-16-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:15,16,1,4,5,3,6,13,9,14,2,7,10,12,11,8/E:(1,2)/rA:16nCCCCCCCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.27656
Area:433.461
Solvation:-3.55995
Coulombic:-29.6361
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.41
LogP (Chemaxon):2.4

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