Chemical ID: 5415981

Cc1cccc(c1C)NC(=O)COC(=O)CC2CCCC2
Chemical ID:
5415981
Name [?]:
(2,3-dimethylphenyl)carbamoylmethyl 2-cyclopentylacetate
SMILES [?]:
Cc1cccc(c1C)NC(=O)COC(=O)CC2CCCC2
InChi [?]:
InChI=1/C17H23NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,19,20,4,3,18,21,5,16,12,2,7,17,6,10,14,9,11,15,13/E:(3,4)(7,8)/rA:21nCCCCCCCCNCOCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.55852
Area:511.555
Solvation:-3.23036
Coulombic:-39.4203
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.77
LogP (Chemaxon):2.87

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