ChemDB: Chemical Search
Download
Chemical ID: 6006466
Chemical ID:
6006466
Name [?]:
N-isobutyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(CC(C)C)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C22H33N3O3/c1-16(2)14-25(22(28)18-7-5-4-6-8-18)15-21(27)23-13-20(26)24-19-11-9-17(3)10-12-19/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:19,20,1,26,25,27,24,28,3,7,4,6,11,17,15,18,2,23,5,9,13,21,12,8,16,10,14,22/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNCOCNCOCNCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s18;s16;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7277 |
Area: | 638.785 |
Solvation: | -4.24195 |
Coulombic: | -58.3152 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 387.516 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.02 |
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 |
---|