ChemDB: Chemical Search
Download
Chemical ID: 5790908
Chemical ID:
5790908
Name [?]:
2-ethyl-N-[4-(ethyl-phenyl-carbamoyl)phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)C(=O)N(CC)c2ccccc2
InChi [?]:
InChI=1/C23H30N2O2/c1-4-7-11-18(5-2)22(26)24-20-16-14-19(15-17-20)23(27)25(6-3)21-12-9-8-10-13-21/h8-10,12-18H,4-7,11H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,7,21,2,6,20,3,25,24,26,4,23,27,13,15,12,16,5,14,11,22,8,17,10,19,9,18/E:(9,10)(12,13)(14,15)(16,17)/rA:27cCCCCCCCCONCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4254 |
Area: | 610.577 |
Solvation: | -2.83902 |
Coulombic: | -40.239 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 366.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.63 |
LogP (Chemaxon): | 5.32 |
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 |
---|