Chemical ID: 6561517

CCc1ccc(cc1)NC(=O)COC(=O)CC2CCCC2
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

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Descriptor Annotations

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