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Chemical ID: 5392706
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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