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Chemical ID: 5415981
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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