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Chemical ID: 5849166
Chemical ID:
5849166
Name [?]:
2-(2-chlorophenoxy)-N,N-dicyclohexyl-acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)N(C2CCCCC2)C3CCCCC3)Cl
InChi [?]:
InChI=1/C20H28ClNO2/c21-18-13-7-8-14-19(18)24-15-20(23)22(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h7-8,13-14,16-17H,1-6,9-12,15H2
InChi Info:
AuxInfo=1/0/N:15,21,14,16,20,22,2,1,13,17,19,23,3,6,8,12,18,4,5,9,24,11,10,7/E:(1,2)(3,4,5,6)(9,10,11,12)(16,17)/rA:24nCCCCCCOCCONCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28ClNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0583 |
Area: | 538.873 |
Solvation: | -3.41354 |
Coulombic: | -26.6122 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.895 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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