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Chemical ID: 6941060
Chemical ID:
6941060
Name [?]:
N-[1-(4-ethoxyphenyl)ethyl]-2-methyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)C(C)NC(=O)C(C)C
InChi [?]:
InChI=1/C14H21NO2/c1-5-17-13-8-6-12(7-9-13)11(4)15-14(16)10(2)3/h6-11H,5H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,11,2,6,8,5,9,15,10,7,4,13,12,14,3/E:(2,3)(6,7)(8,9)/rA:17cCCOCCCCCCCCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.35687 |
Area: | 451.614 |
Solvation: | -2.93349 |
Coulombic: | -29.2326 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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