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Chemical ID: 5500320
Chemical ID:
5500320
Name [?]:
N-(3-methoxyphenyl)-4-tert-butyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)C(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)17(20)19-15-6-5-7-16(12-15)21-4/h5-7,12-14H,8-11H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,16,15,17,7,9,6,10,19,8,5,14,18,11,2,13,12,20/E:(1,2,3)(8,9)(10,11)/rA:21nCCCCCCCCCCCONCCCCCCOC/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34955 |
Area: | 500.866 |
Solvation: | -3.1721 |
Coulombic: | -29.1101 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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