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Chemical ID: 4986374
Chemical ID:
4986374
Name [?]:
N-[(5-isopropenyl-2-methyl-1-cyclohex-2-enylidene)amino]-2-phenoxy-acetamide
SMILES [?]:
CC1=CCC(CC1=NNC(=O)COc2ccccc2)C(=C)C
InChi [?]:
InChI=1/C18H22N2O2/c1-13(2)15-10-9-14(3)17(11-15)19-20-18(21)12-22-16-7-5-4-6-8-16/h4-9,15H,1,10-12H2,2-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,17,16,18,15,19,3,4,6,12,20,2,5,14,7,10,8,9,11,13/E:(5,6)(7,8)/rA:22cCCCCCCCNNCOCOCCCCCCCCC/rB:s1;d2;s3;s4;s5;s2s6;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.13687 |
Area: | 529.434 |
Solvation: | -5.09898 |
Coulombic: | -27.707 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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