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Chemical ID: 5553583
Chemical ID:
5553583
Name [?]:
N-(1-ethylpropyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCC(CC)NC(=O)COc1ccc(cc1)C
InChi [?]:
InChI=1/C14H21NO2/c1-4-12(5-2)15-14(16)10-17-13-8-6-11(3)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,13,15,12,16,9,14,3,11,7,6,8,10/E:(1,2)(4,5)(6,7)(8,9)/rA:17nCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72542 |
Area: | 448.068 |
Solvation: | -3.47627 |
Coulombic: | -29.6167 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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