ChemDB: Chemical Search
Download
Chemical ID: 6036781
Chemical ID:
6036781
Name [?]:
N-ethyl-N-[2-(isopentylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCN(CCC(=O)NCCC(C)C)C(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C17H28N2O3/c1-6-19(10-8-16(20)18-9-7-12(2)3)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,13,22,21,2,10,5,9,4,17,11,18,20,16,6,14,8,3,7,15,19/E:(2,3)/rA:22nCCNCCCONCCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s11;s3;d14;s14;s16;d17;s18;d16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6762 |
Area: | 559.958 |
Solvation: | -3.32278 |
Coulombic: | -43.86 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 308.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|