ChemDB: Chemical Search
Download
Chemical ID: 5892962
Chemical ID:
5892962
Name [?]:
2-ethyl-N-[4-pyrrolidin-1-yl-3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCCC3
InChi [?]:
InChI=1/C24H37N3O3/c1-3-5-9-18(4-2)23(28)26-19-11-12-22(27-13-6-7-14-27)21(16-19)24(29)25-17-20-10-8-15-30-20/h11-12,16,18,20H,3-10,13-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,28,29,23,4,22,12,13,27,30,24,16,20,5,11,21,15,14,8,17,19,10,26,9,18,25/E:(6,7)(13,14)/rA:30cCCCCCCCCONCCCCCCCONCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s23;s21s24;s14;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H37N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.2737 |
Area: | 690.506 |
Solvation: | -4.98896 |
Coulombic: | -55.8708 |
Bond Count [?]
All: | 32 |
Single: | 27 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 415.569 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.87 |
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 |
---|