Chemical ID: 6382367

CC(C)c1ccc(cc1)C=C(C#N)C(=O)NC2CCCCC2
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

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Descriptor Annotations

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