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Chemical ID: 4146946
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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