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Chemical ID: 6382367
Chemical ID:
6382367
Name [?]:
2-cyano-N-cyclohexyl-3-(4-isopropylphenyl)-prop-2-enamide
SMILES [?]:
CC(C)c1ccc(cc1)C=C(C#N)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C19H24N2O/c1-14(2)16-10-8-15(9-11-16)12-17(13-20)19(22)21-18-6-4-3-5-7-18/h8-12,14,18H,3-7H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,6,8,5,9,10,12,2,7,4,11,17,14,13,16,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCCCCCCCCCCNCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;t12;s11;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5836 |
Area: | 530.102 |
Solvation: | -1.66899 |
Coulombic: | -28.139 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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