ChemDB: Chemical Search
Download
Chemical ID: 5975951
Chemical ID:
5975951
Name [?]:
N-[4-dimethylamino-3-(isobutylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1cc(ccc1N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C24H35N3O2/c1-15(2)14-25-22(28)20-10-19(5-6-21(20)27(3)4)26-23(29)24-11-16-7-17(12-24)9-18(8-16)13-24/h5-6,10,15-18H,7-9,11-14H2,1-4H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,11,12,23,26,28,9,25,21,29,4,2,24,22,27,10,8,13,6,18,20,5,17,14,7,19/E:(1,2)(3,4)(7,8,9)(11,12,13)(16,17,18)/rA:29nCCCCNCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s14;s10;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s26;s22s27;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8945 |
Area: | 620.574 |
Solvation: | -3.61989 |
Coulombic: | -48.6848 |
Bond Count [?]
All: | 32 |
Single: | 27 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.554 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.27 |
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 |
---|