ChemDB: Chemical Search
Download
Chemical ID: 7349571
Chemical ID:
7349571
Name [?]:
N-isobutyl-2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]-acetamide
SMILES [?]:
CC(C)CNC(=O)CC1(CCOC(C1)(C)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C20H31NO3/c1-15(2)13-21-18(22)12-20(10-11-24-19(3,4)14-20)16-6-8-17(23-5)9-7-16/h6-9,15H,10-14H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,24,18,22,19,21,10,11,8,4,14,2,17,20,6,13,9,5,7,23,12/E:(1,2)(3,4)(6,7)(8,9)/rA:24cCCCCNCOCCCCOCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s13;s13;s9;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31NO3 |
All Atoms: | 55 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.97138 |
Area: | 537.79 |
Solvation: | -4.47337 |
Coulombic: | -36.6057 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 2.71 |
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 |
---|