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Chemical ID: 4158263
Chemical ID:
4158263
Name [?]:
N-cyclopentyl-2-(2-ethylphenoxy)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)NC2CCCC2
InChi [?]:
InChI=1/C15H21NO2/c1-2-12-7-3-6-10-14(12)18-11-15(17)16-13-8-4-5-9-13/h3,6-7,10,13H,2,4-5,8-9,11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,5,16,17,6,4,15,18,7,10,3,14,8,11,13,12,9/E:(4,5)(8,9)/rA:18nCCCCCCCCOCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9273 |
Area: | 457.977 |
Solvation: | -3.52213 |
Coulombic: | -29.7948 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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