Chemical ID: 4986374

CC1=CCC(CC1=NNC(=O)COc2ccccc2)C(=C)C
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

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Descriptor Annotations

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