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Chemical ID: 6032299
Chemical ID:
6032299
Name [?]:
N-[2-(cyclohexylcarbamoyl)ethyl]-N-isobutyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NC2CCCCC2)CC(C)C
InChi [?]:
InChI=1/C20H32N2O3/c1-14(2)13-22(20(24)18-12-15(3)25-16(18)4)11-10-19(23)21-17-8-6-5-7-9-17/h12,14,17H,5-11,13H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:24,25,1,7,19,18,20,17,21,12,11,3,22,23,2,5,16,4,13,8,15,10,14,9,6/E:(1,2)(6,7)(8,9)/rA:25nCCCCCOCCONCCCONCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s10;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.568 |
Area: | 593.493 |
Solvation: | -3.26936 |
Coulombic: | -44.4374 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 348.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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