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Chemical ID: 6306463
Chemical ID:
6306463
Name [?]:
N-[(2-propoxyphenyl)methyleneamino]cyclohexanecarboxamide
SMILES [?]:
CCCOc1ccccc1C=NNC(=O)C2CCCCC2
InChi [?]:
InChI=1/C17H24N2O2/c1-2-12-21-16-11-7-6-10-15(16)13-18-19-17(20)14-8-4-3-5-9-14/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,8,7,17,21,9,6,3,11,16,10,5,14,12,13,15,4/E:(4,5)(8,9)/rA:21nCCCOCCCCCCCNNCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04479 |
Area: | 514.481 |
Solvation: | -3.81724 |
Coulombic: | -27.414 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 288.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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