ChemDB: Chemical Search
Download
Chemical ID: 5892246
Chemical ID:
5892246
Name [?]:
N-[4-pyrrolidin-1-yl-3-(sec-butylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)c3ccco3
InChi [?]:
InChI=1/C20H25N3O3/c1-3-14(2)21-19(24)16-13-15(22-20(25)18-7-6-12-26-18)8-9-17(16)23-10-4-5-11-23/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,17,24,23,11,12,15,18,25,9,3,10,8,13,22,6,20,5,19,14,7,21,26/E:(4,5)(10,11)/rA:26cCCCCNCOCCCCCCNCCCCNCOCCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6652 |
Area: | 583.912 |
Solvation: | -3.93257 |
Coulombic: | -56.9368 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.431 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 2.76 |
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 |
---|