Chemical ID: 5357467

c1cc(ccc1C#N)OCC(=O)OCC(=O)NCCC2=CCCCC2
Chemical ID:
5357467
Name [?]:
2-(1-cyclohexenyl)ethylcarbamoylmethyl 2-(4-cyanophenoxy)acetate
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)OCC(=O)NCCC2=CCCCC2
InChi [?]:
InChI=1/C19H22N2O4/c20-12-16-6-8-17(9-7-16)24-14-19(23)25-13-18(22)21-11-10-15-4-2-1-3-5-15/h4,6-9H,1-3,5,10-11,13-14H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:23,22,24,21,25,1,5,2,4,19,18,7,14,10,20,6,3,15,11,8,17,16,12,9,13/E:(6,7)(8,9)/rA:25nCCCCCCCNOCCOOCCONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1811
Area:617.49
Solvation:-5.25617
Coulombic:-51.5956
Bond Count [?]
All:26
Single:19
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:342.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.69
LogP (Chemaxon):1.89

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Descriptor Annotations

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