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Chemical ID: 6157549
Chemical ID:
6157549
Name [?]:
N-(2-ethoxyphenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1ccccc1OCC
InChi [?]:
InChI=1/C14H21NO2/c1-4-11(5-2)14(16)15-12-9-7-8-10-13(12)17-6-3/h7-11H,4-6H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,16,11,12,10,13,3,9,14,6,8,7,15/E:(1,2)(4,5)/rA:17nCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59474 |
Area: | 442.806 |
Solvation: | -2.47541 |
Coulombic: | -29.9099 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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