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Chemical ID: 6157584
Chemical ID:
6157584
Name [?]:
N-(3-ethoxypropyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)NCCCOCC
InChi [?]:
InChI=1/C11H23NO2/c1-4-10(5-2)11(13)12-8-7-9-14-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,14,2,4,13,10,9,11,3,6,8,7,12/E:(1,2)(4,5)/rA:14nCCCCCCONCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88331 |
Area: | 432.135 |
Solvation: | -2.92007 |
Coulombic: | -29.1655 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 201.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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