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Chemical ID: 6561517
Chemical ID:
6561517
Name [?]:
(4-ethylphenyl)carbamoylmethyl 2-cyclopentylacetate
SMILES [?]:
CCc1ccc(cc1)NC(=O)COC(=O)CC2CCCC2
InChi [?]:
InChI=1/C17H23NO3/c1-2-13-7-9-15(10-8-13)18-16(19)12-21-17(20)11-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,18,21,4,8,5,7,16,12,3,17,6,10,14,9,11,15,13/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCNCOCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;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: | 9.81542 |
Area: | 522.419 |
Solvation: | -3.24505 |
Coulombic: | -39.8245 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 289.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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