ChemDB: Chemical Search
Download
Chemical ID: 6924473
Chemical ID:
6924473
Name [?]:
N-benzyl-N-isopropyl-4-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)C(=O)N(Cc2ccccc2)C(C)C
InChi [?]:
InChI=1/C22H28N2O2/c1-4-5-11-21(25)23-20-14-12-19(13-15-20)22(26)24(17(2)3)16-18-9-7-6-8-10-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,3,21,20,22,19,23,4,10,12,9,13,17,24,18,11,8,5,14,7,16,6,15/E:(2,3)(7,8)(9,10)(12,13)(14,15)/rA:26nCCCCCONCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N2O2 |
All Atoms: | 54 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9989 |
Area: | 595.4 |
Solvation: | -2.88609 |
Coulombic: | -40.027 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.47 |
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 |
---|