ChemDB: Chemical Search
Download
Chemical ID: 4191430
Chemical ID:
4191430
Name [?]:
N-(1-adamantyl)-2-isopropylamino-acetamide
SMILES [?]:
CC(C)NCC(=O)NC12CC3CC(C1)CC(C3)C2
InChi [?]:
InChI=1/C15H26N2O/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13,16H,3-9H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,12,15,17,14,10,18,5,2,13,11,16,6,9,4,8,7/E:(1,2)(3,4,5)(6,7,8)(11,12,13)/rA:18nCCCNCCONCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69189 |
Area: | 431.012 |
Solvation: | -2.08342 |
Coulombic: | -30.0335 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 250.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 1.19 |
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 |
---|