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Chemical ID: 5849797
Chemical ID:
5849797
Name [?]:
N-(2-furylmethyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)NCc1ccco1
InChi [?]:
InChI=1/C11H17NO2/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h4-6H,7-8H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,11,13,5,9,10,6,2,8,7,14/E:(1,2,3)/rA:14nCCCCCCONCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05005 |
Area: | 385.669 |
Solvation: | -2.59168 |
Coulombic: | -27.6343 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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