ChemDB: Chemical Search
Download
Chemical ID: 7291166
Chemical ID:
7291166
Name [?]:
N-[3-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cccc(c1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C22H30N2O2/c1-3-24(4-2)20(25)18-6-5-7-19(11-18)23-21(26)22-12-15-8-16(13-22)10-17(9-15)14-22/h5-7,11,15-17H,3-4,8-10,12-14H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,9,11,20,23,25,13,22,18,26,21,19,24,8,12,6,15,17,14,3,7,16/E:(1,2)(3,4)(8,9,10)(12,13,14)(15,16,17)/rA:26nCCNCCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O2 |
All Atoms: | 56 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2357 |
Area: | 553.866 |
Solvation: | -2.61091 |
Coulombic: | -39.2566 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.73 |
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 |
---|