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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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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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