Chemical ID: 5392706

Cc1cc(c(c(c1)C)NC(=O)COC(=O)C2CCCCC2)C
Chemical ID:
5392706
Name [?]:
(2,4,6-trimethylphenyl)carbamoylmethyl cyclohexanecarboxylate
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COC(=O)C2CCCCC2)C
InChi [?]:
InChI=1/C18H25NO3/c1-12-9-13(2)17(14(3)10-12)19-16(20)11-22-18(21)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,22,19,18,20,17,21,7,3,12,2,6,4,16,10,5,14,9,11,15,13/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:22nCCCCCCCCNCOCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.86137
Area:523.65
Solvation:-3.22989
Coulombic:-39.5388
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):2.92

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