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Chemical ID: 6588672
Chemical ID:
6588672
Name [?]:
N-(4-ethylcyclohexylidene)amino-2-(2-methoxyphenoxy)-acetamide
SMILES [?]:
CCC1CCC(=NNC(=O)COc2ccccc2OC)CC1
InChi [?]:
InChI=1/C17H24N2O3/c1-3-13-8-10-14(11-9-13)18-19-17(20)12-22-16-7-5-4-6-15(16)21-2/h4-7,13H,3,8-12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,15,17,14,4,22,5,21,11,3,6,18,13,9,7,8,10,19,12/E:(8,9)(10,11)/rA:22nCCCCCCNNCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s6;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94874 |
Area: | 539.688 |
Solvation: | -7.54347 |
Coulombic: | -31.9441 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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