Chemical ID: 4560017

CCC1(CC(CCO1)(CCN(Cc2ccccc2)C(=O)C)c3ccc(cc3)OC)C
Chemical ID:
4560017
Name [?]:
N-benzyl-N-[2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]ethyl]acetamide
SMILES [?]:
CCC1(CC(CCO1)(CCN(Cc2ccccc2)C(=O)C)c3ccc(cc3)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H35NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.8185
Area:633.794
Solvation:-5.02636
Coulombic:-33.2318
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:409.561
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):4.17

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue