Chemical ID: 5499530

Cc1ccc(c(c1)OC)OCC(=O)NC(C)(C)C
Chemical ID:
5499530
Name [?]:
2-(2-methoxy-4-methyl-phenoxy)-N-tert-butyl-acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H21NO3/c1-10-6-7-11(12(8-10)17-5)18-9-13(16)15-14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,9,3,4,7,11,2,5,6,12,15,14,13,8,10/E:(2,3,4)/rA:18nCCCCCCCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.64726
Area:458.483
Solvation:-5.81481
Coulombic:-34.9357
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:251.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.49
LogP (Chemaxon):1.77

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Descriptor Annotations

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