Chemical ID: 6962323

CC1=CCC(CC1=NNC(=O)c2ccc(cc2)OC)C(=C)C
Chemical ID:
6962323
Name [?]:
N-[(5-isopropenyl-2-methyl-1-cyclohex-2-enylidene)amino]-4-methoxy-benzamide
SMILES [?]:
CC1=CCC(CC1=NNC(=O)c2ccc(cc2)OC)C(=C)C
InChi [?]:
InChI=1/C18H22N2O2/c1-12(2)15-6-5-13(3)17(11-15)19-20-18(21)14-7-9-16(22-4)10-8-14/h5,7-10,15H,1,6,11H2,2-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,19,3,4,13,17,14,16,6,20,2,12,5,15,7,10,8,9,11,18/E:(7,8)(9,10)/rA:22cCCCCCCCNNCOCCCCCCOCCCC/rB:s1;d2;s3;s4;s5;s2s6;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O2
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.15221
Area:529.099
Solvation:-4.07528
Coulombic:-28.4927
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:298.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue