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Chemical ID: 7487762
Chemical ID:
7487762
Name [?]:
N-(5-cyclohexylcarbonylamino-2-methyl-phenyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C2CCCCC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H30N2O2/c1-15-12-13-18(22-20(24)16-8-4-2-5-9-16)14-19(15)23-21(25)17-10-6-3-7-11-17/h12-14,16-17H,2-11H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,14,22,24,13,15,21,25,12,16,3,4,6,2,20,11,5,7,18,9,17,8,19,10/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s5;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O2 |
All Atoms: | 55 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.543 |
Area: | 567.475 |
Solvation: | -2.64386 |
Coulombic: | -41.7029 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.475 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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