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Chemical ID: 6157261
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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