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Chemical ID: 6402348
Chemical ID:
6402348
Name [?]:
N-cyclohexyl-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C15H21NO3/c1-18-13-8-11(9-14(10-13)19-2)15(17)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,15,19,4,6,8,5,14,3,7,11,13,12,2,9/E:(1,2)(4,5)(6,7)(8,9)(13,14)(18,19)/rA:19nCOCCCCCCOCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51439 |
Area: | 462.501 |
Solvation: | -4.04813 |
Coulombic: | -36.0813 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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