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Chemical ID: 4852456
Chemical ID:
4852456
Name [?]:
N-cyclohexyl-5-(p-tolylmethyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)Cc2ccc(o2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C19H23NO2/c1-14-7-9-15(10-8-14)13-17-11-12-18(22-17)19(21)20-16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,7,4,6,10,11,8,2,5,17,9,12,14,16,15,13/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCCCOCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.036 |
Area: | 524.781 |
Solvation: | -2.08358 |
Coulombic: | -32.8355 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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