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Chemical ID: 6036762
Chemical ID:
6036762
Name [?]:
N-[2-(butylcarbamoyl)ethyl]-N-ethyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCCCNC(=O)CCN(CC)C(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C16H26N2O3/c1-5-7-9-17-15(19)8-10-18(6-2)16(20)14-11-12(3)21-13(14)4/h11H,5-10H2,1-4H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,21,20,2,11,3,8,4,9,16,17,19,15,6,13,5,10,7,14,18/rA:21nCCCCNCOCCNCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s10;d13;s13;s15;d16;s17;d15s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1156 |
Area: | 545.092 |
Solvation: | -3.51174 |
Coulombic: | -43.4939 |
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: | 1.75 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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