ChemDB: Chemical Search
Download
Chemical ID: 4568793
Chemical ID:
4568793
Name [?]:
N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide
SMILES [?]:
CC(C)C(CCNC(=O)C1CCOC(C1)(C)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C21H33NO3/c1-15(2)19(16-6-8-18(24-5)9-7-16)10-12-22-20(23)17-11-13-25-21(3,4)14-17/h6-9,15,17,19H,10-14H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,25,19,23,20,22,5,11,6,12,15,2,18,10,21,4,8,14,7,9,24,13/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCCNCOCCCOCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;s14;s4;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H33NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.0588 |
Area: | 593.16 |
Solvation: | -4.77024 |
Coulombic: | -36.923 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.492 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.17 |
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 |
---|