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Chemical ID: 6032144
Chemical ID:
6032144
Name [?]:
N-isobutyl-N-[2-(isobutylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)CNC(=O)CCN(CC(C)C)C(=O)c1ccoc1
InChi [?]:
InChI=1/C16H26N2O3/c1-12(2)9-17-15(19)5-7-18(10-13(3)4)16(20)14-6-8-21-11-14/h6,8,11-13H,5,7,9-10H2,1-4H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,8,18,9,19,4,11,21,2,12,17,6,15,5,10,7,16,20/E:(1,2)(3,4)/rA:21nCCCCNCOCCNCCCCCOCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s12;s10;d15;s15;s17;d18;s19;d17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51827 |
Area: | 523.727 |
Solvation: | -3.57491 |
Coulombic: | -44.412 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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