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Chemical ID: 3962880
Chemical ID:
3962880
Name [?]:
2-cyclohexylamino-3-methyl-N-(o-tolyl)butanamide
SMILES [?]:
Cc1ccccc1NC(=O)C(C(C)C)NC2CCCCC2
InChi [?]:
InChI=1/C18H28N2O/c1-13(2)17(19-15-10-5-4-6-11-15)18(21)20-16-12-8-7-9-14(16)3/h7-9,12-13,15,17,19H,4-6,10-11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:13,14,1,19,18,20,4,5,3,17,21,6,12,2,16,7,11,9,15,8,10/E:(1,2)(5,6)(10,11)/rA:21cCCCCCCCNCOCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s11;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7136 |
Area: | 504.477 |
Solvation: | -1.89835 |
Coulombic: | -32.0977 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 288.428 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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