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Chemical ID: 7299588
Chemical ID:
7299588
Name [?]:
(2,4,6-trimethylphenyl)carbamoylmethyl 2-cyclohexylacetate
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)COC(=O)CC2CCCCC2)C
InChi [?]:
InChI=1/C19H27NO3/c1-13-9-14(2)19(15(3)10-13)20-17(21)12-23-18(22)11-16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,23,20,19,21,18,22,7,3,16,12,2,6,4,17,10,14,5,9,11,15,13/E:(2,3)(5,6)(7,8)(9,10)(14,15)/rA:23nCCCCCCCCNCOCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO3 |
All Atoms: | 50 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3407 |
Area: | 546.036 |
Solvation: | -3.31016 |
Coulombic: | -39.3196 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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