Chemical ID: 6157261

COC(=O)c1ccccc1NC(=O)CCC2CCCCC2
Chemical ID:
6157261
Name [?]:
methyl 2-(3-cyclohexylpropanoylamino)benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C17H23NO3/c1-21-17(20)14-9-5-6-10-15(14)18-16(19)12-11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,8,17,21,6,9,15,14,16,5,10,12,3,11,13,4,2/E:(3,4)(7,8)/rA:21nCOCOCCCCCCNCOCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.3346
Area:504.345
Solvation:-2.27408
Coulombic:-41.6344
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.91
LogP (Chemaxon):4.01

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Descriptor Annotations

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