ChemDB: Chemical Search
Download
Chemical ID: 4454801
Chemical ID:
4454801
Name [?]:
4-methyl-N-[(2-methyl-2-adamantyl)methyl]benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCC2(C3CC4CC(C3)CC2C4)C
InChi [?]:
InChI=1/C20H27NO/c1-13-3-5-16(6-4-13)19(22)21-12-20(2)17-8-14-7-15(10-17)11-18(20)9-14/h3-6,14-15,17-18H,7-12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,4,6,16,14,21,18,19,11,2,15,17,5,13,20,8,12,10,9/E:(3,4)(5,6)(8,9,10,11)(14,15)(17,18)/rA:22nCCCCCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s17;s12s19;s15s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
| Formula: | C20H27NO |
| All Atoms: | 22 |
| Heavy Atoms: | 22 |
| Chiral Atoms: | 0 |
ZAP Information [?]
| Total: | 10.6995 |
| Area: | 484.364 |
| Solvation: | -1.40957 |
| Coulombic: | -24.8888 |
Bond Count [?]
| All: | 25 |
| Single: | 21 |
| Double: | 4 |
| Rotors: | 4 |
| Chiral: | 0 |
| Rigid Segments: | 4 |
Chemical Properties
| Molecular Weight: | 297.435 |
| H-Bond Donors: | 1 |
| H-Bond Acceptors: | 2 |
| XLogP: | 6.06 |
| LogP (Chemaxon): | 4.13 |
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 |
|---|