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Chemical ID: 6934543
Chemical ID:
6934543
Name [?]:
2,2-dimethyl-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
CCC(C)(C)C(=O)NCC1CCCO1
InChi [?]:
InChI=1/C11H21NO2/c1-4-11(2,3)10(13)12-8-9-6-5-7-14-9/h9H,4-8H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,12,11,13,9,10,6,3,8,7,14/E:(2,3)/rA:14cCCCCCCONCCCCCO/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO2 |
All Atoms: | 35 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.04413 |
Area: | 392.631 |
Solvation: | -2.77166 |
Coulombic: | -29.4633 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 199.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.38 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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