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Chemical ID: 4457083
Chemical ID:
4457083
Name [?]:
N-cyclohexyl-4-[(4-ethylphenoxy)methyl]benzamide
SMILES [?]:
CCc1ccc(cc1)OCc2ccc(cc2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C22H27NO2/c1-2-17-10-14-21(15-11-17)25-16-18-8-12-19(13-9-18)22(24)23-20-6-4-3-5-7-20/h8-15,20H,2-7,16H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,25,12,16,4,8,13,15,5,7,10,3,11,14,20,6,17,19,18,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCCCCCOCCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7062 |
Area: | 589.896 |
Solvation: | -3.04117 |
Coulombic: | -32.7596 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.455 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.78 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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