Chemical ID: 6598154

c1cc(ccc1C#N)OCC(=O)NC2CCCC2
Chemical ID:
6598154
Name [?]:
2-(4-cyanophenoxy)-N-cyclopentyl-acetamide
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)NC2CCCC2
InChi [?]:
InChI=1/C14H16N2O2/c15-9-11-5-7-13(8-6-11)18-10-14(17)16-12-3-1-2-4-12/h5-8,12H,1-4,10H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,1,5,2,4,7,10,6,14,3,11,8,13,12,9/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCCCCCNOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.43589
Area:463.757
Solvation:-4.15804
Coulombic:-31.8138
Bond Count [?]
All:19
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:244.289
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.09
LogP (Chemaxon):1.72

Name Annotations

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Descriptor Annotations

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