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Chemical ID: 7491850
Chemical ID:
7491850
Name [?]:
2-cyclohexylcarbonylamino-N-isopropyl-benzamide
SMILES [?]:
CC(C)NC(=O)c1ccccc1NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C17H24N2O2/c1-12(2)18-17(21)14-10-6-7-11-15(14)19-16(20)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,9,10,17,21,8,11,2,16,7,12,14,5,4,13,15,6/E:(1,2)(4,5)(8,9)/rA:21nCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O2 |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1529 |
Area: | 491.861 |
Solvation: | -2.14364 |
Coulombic: | -43.7561 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.385 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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